data_2k5j_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 2k5j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.884 0.373 . . . . 1.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.11 -177.35 47.56 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.497 -1.041 . . . . 1.0 110.497 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -144.86 144.5 31.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 1.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -134.11 151.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.17 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 14' ' ' LEU . 13.4 mt -92.56 145.65 24.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 mm? -126.46 132.9 51.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.141 -0.936 . . . . 1.0 111.0 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -107.58 111.54 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.49 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.7 mt -133.2 147.38 52.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.559 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -65.72 161.28 21.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.268 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.16 -38.93 90.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.51 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -56.84 -34.94 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.505 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.94 -43.21 85.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.44 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -53.86 -36.8 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.746 -0.464 . . . . 1.0 109.746 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.45 -40.11 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.98 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -63.6 -47.93 79.43 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.015 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.36 -42.29 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.79 -45.96 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.393 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -58.44 -42.95 88.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 1.0 110.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.429 ' CD1' ' CD2' ' B' ' 247' ' ' LEU . 6.8 mt -67.75 -33.9 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.665 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 32' ' ' ASN . 37.7 mt-10 -69.71 -36.08 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.745 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.3 -51.29 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.884 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' NE2' HD21 ' A' ' 27' ' ' LEU . 17.1 pt20 -62.37 -39.72 94.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.475 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 mmt-85 -85.89 -16.94 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.633 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 28' ' ' GLU . 65.8 m-20 55.49 39.83 31.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.224 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -136.07 153.71 76.99 Favored Pre-proline 0 N--CA 1.464 0.259 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.981 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.54 153.79 72.75 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.622 2.215 . . . . 1.0 112.008 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 33.9 ptt180 -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.19 -41.28 26.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.244 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.82 -38.52 89.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.586 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.65 -41.75 75.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.669 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -55.46 -43.79 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.207 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.98 -36.64 83.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.65 80.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.32 -54.54 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.369 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -50.14 -43.94 52.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.953 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.47 -38.62 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.693 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -62.67 -46.68 87.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.71 -41.91 98.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--N 1.324 -0.535 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.158 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.6 mtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 1.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -67.02 142.16 41.02 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.556 -1.018 . . . . 1.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -94.64 135.19 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 1.0 110.688 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' LEU . 89.8 mt -133.35 134.61 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.278 0.561 . . . . 1.0 110.059 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.68 135.66 33.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.6 tp -119.07 127.12 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.499 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -100.28 121.72 41.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 58.3 mt -120.67 -164.82 1.14 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 217' ' ' SER . . . . . 0.683 ' O ' ' N ' ' B' ' 219' ' ' GLU . 2.9 m -121.97 92.6 3.77 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 119.553 -0.859 . . . . 1.0 110.48 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 217' ' ' SER . 8.7 m120 21.88 -74.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 O-C-N 125.173 1.546 . . . . 1.0 112.388 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . 0.683 ' N ' ' O ' ' B' ' 217' ' ' SER . 96.8 mt-10 -50.06 -20.04 0.88 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.487 -1.688 . . . . 1.0 109.761 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.53 -43.66 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.278 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.92 -34.65 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.81 -45.33 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.372 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -55.18 -46.52 75.82 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.837 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.12 -38.14 87.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.356 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . 0.409 ' O ' HG21 ' B' ' 229' ' ' VAL . 28.3 t70 -58.27 -43.47 87.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -60.71 -41.72 95.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.894 0.378 . . . . 1.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -69.69 -40.73 76.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.512 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . 0.53 ' O ' ' ND2' ' B' ' 232' ' ' ASN . 74.5 t -71.95 -51.88 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.859 -0.61 . . . . 1.0 111.153 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.58 -42.94 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.569 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -79.44 -22.32 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.969 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' B' ' 229' ' ' VAL . 19.4 m120 61.02 61.53 1.59 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.592 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -154.52 160.31 31.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.384 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.46 139.25 88.6 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.388 2.058 . . . . 1.0 111.943 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -63.32 -41.13 98.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.363 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.32 -39.48 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.12 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -66.17 -40.86 90.79 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.607 HD21 ' OE1' ' B' ' 241' ' ' GLU . 21.2 mt -63.31 -41.14 98.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 1.0 110.258 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . 0.593 HD13 HD22 ' A' ' 14' ' ' LEU . 92.4 mt -67.34 -45.96 74.86 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.629 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -52.89 -50.81 63.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.61 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . 0.607 ' OE1' HD21 ' B' ' 238' ' ' LEU . 3.9 pt-20 -65.66 -31.88 73.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.299 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.17 70.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.175 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.8 -51.22 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.187 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -52.79 -48.01 67.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.62 -41.33 81.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.924 0.393 . . . . 1.0 110.244 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.19 -43.66 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . 0.429 ' CD2' ' CD1' ' A' ' 27' ' ' LEU . 92.0 mt -62.14 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.801 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.84 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.291 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' B' ' 249' ' ' ASN . 59.0 t-20 . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 1.0 110.311 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.1 mtp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.763 0.316 . . . . 1.0 110.544 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.84 -177.65 22.96 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -146.1 121.09 10.03 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.086 0.47 . . . . 1.0 110.328 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.4 146.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.571 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.6 mp -98.09 122.71 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 1.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.48 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.679 ' O ' HD23 ' A' ' 16' ' ' LEU . 91.5 m-20 -105.45 112.51 25.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.652 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -131.58 144.81 51.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.824 179.481 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 m -58.01 149.47 23.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.52 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -60.56 -37.48 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.552 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -55.95 -32.31 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.474 HG22 HD12 ' A' ' 16' ' ' LEU . 77.5 t -72.29 -41.83 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -52.98 -38.79 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 109.827 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.08 -40.31 94.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.93 -46.64 80.8 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.069 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.07 -41.11 97.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.486 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.11 -50.23 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.486 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -58.92 -44.92 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.457 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.01 -34.27 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.793 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.81 -39.48 83.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.934 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -44.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.008 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -75.55 -16.79 60.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.797 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.4 m120 55.66 33.48 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.347 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.827 HD21 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -127.51 158.12 70.82 Favored Pre-proline 0 C--O 1.224 -0.255 0 CA-C-O 121.0 0.428 . . . . 1.0 109.922 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.79 142.03 96.53 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.835 2.357 . . . . 1.0 112.911 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.8 -42.66 98.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.506 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.92 18.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.91 -38.09 87.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.65 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' A' ' 33' ' ' LEU . 10.9 mt -66.07 -43.05 88.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.81 -45.67 88.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.556 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -59.25 -43.65 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.68 -42.34 98.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.767 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.86 82.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.0 t -71.25 -52.44 26.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.6 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -53.54 -46.03 70.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -55.05 -42.04 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.933 ' HH ' HH22 ' B' ' 231' ' ' ARG . 30.5 t80 -64.07 -41.48 97.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.411 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' HA ' HD21 ' A' ' 47' ' ' LEU . 90.2 mt -62.49 -38.12 88.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.794 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.897 -179.068 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.1 mtp . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 120.863 0.363 . . . . 1.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -121.53 176.77 16.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -135.74 127.31 28.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.956 0.408 . . . . 1.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 77.7 mt -134.12 147.44 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.489 HD12 ' N ' ' B' ' 213' ' ' LEU . 11.2 mp -100.71 133.09 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 1.0 110.347 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.76 HD21 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -133.15 140.49 47.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.563 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.76 ' H ' HD21 ' B' ' 214' ' ' LEU . 41.1 p-10 -117.19 120.13 37.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.627 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 66.4 mt -123.73 148.26 46.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.66 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.6 m -59.36 150.93 24.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.457 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -61.41 -37.96 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.531 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -56.89 -35.45 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.635 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.02 -43.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.5 mt -55.14 -38.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.65 -37.88 87.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.366 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.6 -47.36 75.97 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.973 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.44 88.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.555 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -54.43 -45.23 72.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.594 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.64 -46.66 88.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . 0.452 HD12 ' N ' ' B' ' 227' ' ' LEU . 11.1 mp -67.49 -29.21 68.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.976 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' B' ' 232' ' ' ASN . 25.9 tt0 -68.98 -42.68 76.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.113 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 76.3 t -65.9 -42.47 92.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.021 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -56.82 -47.41 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.875 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.933 HH22 ' HH ' ' A' ' 46' ' ' TYR . 92.4 mtt180 -86.15 -23.59 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.668 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' B' ' 228' ' ' GLU . 64.6 t30 61.83 60.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.549 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -146.05 158.65 48.15 Favored Pre-proline 0 C--O 1.223 -0.324 0 CA-C-O 121.148 0.499 . . . . 1.0 110.582 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.94 141.72 97.07 Favored 'Trans proline' 0 C--N 1.3 -2.024 0 C-N-CA 122.74 2.293 . . . . 1.0 112.193 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -60.92 -42.1 97.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.47 -37.24 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.467 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.72 -39.14 80.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.574 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' B' ' 238' ' ' LEU . 83.6 mt -63.83 -41.79 97.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.599 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.39 -43.23 99.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.67 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.44 -42.76 96.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.196 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.11 -45.81 91.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.706 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.96 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.556 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.33 -51.92 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.635 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -53.94 -49.33 68.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.209 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -55.58 -41.03 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -63.97 -43.73 94.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.55 -33.66 74.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.46 -43.5 96.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.572 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.25 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.3 mtp . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.766 0.317 . . . . 1.0 110.422 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.98 173.53 16.77 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' HD2' HD12 ' B' ' 213' ' ' LEU . 58.9 ttp180 -147.84 137.62 22.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 1.0 110.517 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.572 HD13 ' CD1' ' B' ' 216' ' ' LEU . 55.1 mt -138.52 149.61 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.11 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.622 HD21 ' N ' ' A' ' 14' ' ' LEU . 1.2 tt -93.46 120.1 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 1.0 109.823 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.622 ' N ' HD21 ' A' ' 13' ' ' LEU . 42.5 tp -114.12 130.47 56.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 45.9 p-10 -115.26 128.13 55.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.433 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.71 144.89 50.6 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.646 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -66.04 160.3 24.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.374 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -60.86 -37.46 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.369 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -60.26 -36.33 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.535 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.62 -43.32 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.4 mt -54.05 -38.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -64.58 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.123 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.97 -48.96 69.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.73 -40.85 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.554 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -55.8 -43.42 76.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.62 -41.93 95.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 1.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.87 -32.74 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 39.4 mt-10 -69.92 -39.93 75.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.693 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.48 -50.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.739 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -52.54 -48.9 65.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.443 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -89.12 -12.6 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 28' ' ' GLU . 40.3 m-80 58.99 30.84 20.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.442 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.29 157.42 41.15 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.406 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.47 156.27 61.84 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.627 2.218 . . . . 1.0 111.714 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 30.1 ptt180 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.498 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.454 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.02 -40.96 24.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.183 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -65.77 -38.89 90.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.126 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.407 ' HA ' HD21 ' A' ' 38' ' ' LEU . 96.5 mt -65.32 -40.98 94.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.586 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.59 -46.61 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.636 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -60.22 -43.75 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.378 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.08 -42.86 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.54 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.11 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.113 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -68.33 -51.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.1 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -53.74 -48.17 69.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.11 -40.18 92.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.391 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.99 -41.57 96.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.059 -179.612 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.3 mtp . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.795 0.331 . . . . 1.0 110.415 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -68.01 140.19 35.72 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.687 -0.965 . . . . 1.0 110.687 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -97.04 134.16 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 1.0 110.443 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 6.8 mm -132.75 139.82 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.559 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.588 HD23 ' N ' ' B' ' 213' ' ' LEU . 4.0 mm? -90.52 128.46 36.56 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.352 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 44.1 tp -112.73 127.01 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 47.7 p-10 -99.91 132.69 45.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.463 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.572 ' CD1' HD13 ' A' ' 12' ' ' ILE . 13.6 mt -134.78 -166.11 1.77 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.512 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 153.36 51.59 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -56.09 -39.42 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.34 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.88 -39.42 94.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.788 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 1.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.4 mt -53.02 -39.1 31.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.938 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.28 -39.57 92.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.16 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.02 -49.05 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.054 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . 0.699 ' HB3' ' HE2' ' B' ' 228' ' ' GLU . 61.2 mt -60.93 -42.82 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.709 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -50.87 -42.76 59.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.271 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.17 -42.34 90.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 1.0 110.04 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . 0.405 ' N ' HD12 ' B' ' 227' ' ' LEU . 7.9 mp -67.17 -34.59 77.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.396 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.699 ' HE2' ' HB3' ' B' ' 224' ' ' LEU . 1.3 mp0 -68.38 -36.05 78.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.929 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.81 -51.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.606 -0.438 . . . . 1.0 111.147 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.507 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -85.28 -17.93 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.723 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' B' ' 228' ' ' GLU . 55.7 t-20 51.69 45.87 27.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.199 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.0 mt -138.79 153.2 71.85 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.895 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 153.04 76.66 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.614 2.209 . . . . 1.0 111.985 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.468 ' NH1' HD12 ' A' ' 12' ' ' ILE . 89.7 mtm180 -61.97 -44.94 95.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.542 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.16 -42.73 20.2 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.249 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.63 -39.79 91.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 1.0 110.488 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.472 ' CD1' ' OE1' ' B' ' 228' ' ' GLU . 56.8 mt -67.49 -40.64 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.93 -45.77 93.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.54 -43.06 79.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.079 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 245' ' ' GLN . 95.8 mt-10 -67.53 -37.41 82.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.605 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.61 74.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.81 -52.59 52.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.413 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.8 -50.04 57.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.948 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' B' ' 241' ' ' GLU . 1.2 mp0 -60.57 -41.27 94.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.178 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.1 -46.08 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.468 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.538 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.82 -46.53 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.279 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 1.0 110.353 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.6 mtp . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 121.034 0.445 . . . . 1.0 110.493 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.52 139.08 10.34 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -97.68 138.34 35.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.842 0.353 . . . . 1.0 110.417 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -130.79 146.5 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 13' ' ' LEU . 11.2 mp -102.04 126.37 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.386 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 14' ' ' LEU . 42.6 tp -124.09 134.64 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.566 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' C ' HD23 ' A' ' 16' ' ' LEU . 45.9 p-10 -96.08 122.47 38.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 15' ' ' ASP . 4.2 mm? -109.33 -173.26 2.22 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.69 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -128.72 145.37 51.19 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -53.26 -38.49 63.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.38 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -67.26 -41.24 85.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.547 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.0 -44.31 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.649 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.8 mt -52.89 -38.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.23 -38.74 91.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 1.0 110.417 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.22 -48.22 71.3 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.187 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.55 -42.73 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' O ' HG21 ' A' ' 29' ' ' VAL . 51.8 t0 -56.82 -46.2 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.481 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.07 -47.58 85.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.65 -30.61 67.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.809 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 78.0 tt0 -70.53 -41.09 73.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.411 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 25' ' ' ASP . 65.0 t -65.11 -43.29 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.604 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.73 -40.31 92.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.712 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 58.45 38.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.52 153.83 72.88 Favored Pre-proline 0 C--O 1.226 -0.182 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.717 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.79 146.05 96.83 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.65 2.233 . . . . 1.0 112.071 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.556 HH22 HD13 ' B' ' 212' ' ' ILE . 59.9 ttp180 -60.33 -43.55 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.66 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.62 -40.32 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.396 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -66.4 -39.2 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.498 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.14 -41.36 94.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.843 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.51 -44.32 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.725 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.68 -42.64 97.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.434 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.97 -37.91 87.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.496 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.99 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.55 -52.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.22 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -53.51 -48.97 68.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.1 -40.07 92.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.497 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.862 ' HH ' ' NH1' ' B' ' 231' ' ' ARG . 89.5 t80 -61.42 -42.34 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.7 -42.92 94.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 1.0 110.173 179.602 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 81.9 mmm . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.854 0.359 . . . . 1.0 110.309 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -71.13 -176.17 22.83 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -126.91 123.04 36.29 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.666 0.269 . . . . 1.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.556 HD13 HH22 ' A' ' 35' ' ' ARG . 43.4 mm -117.68 151.1 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.67 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 6.6 tp -107.52 124.46 49.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.7 tp -117.69 131.95 56.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -112.13 123.18 49.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.612 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 57.0 mt -133.85 145.42 49.67 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.754 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.1 m -58.32 152.87 16.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.477 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -60.46 -29.33 68.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.07 -36.87 84.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.88 -42.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.504 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.6 mt -54.64 -37.62 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.975 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -65.6 -36.62 84.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.152 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -66.52 -47.14 73.86 Favored 'General case' 0 CA--C 1.527 0.059 0 CA-C-O 121.145 0.497 . . . . 1.0 109.919 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.19 -41.72 94.3 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.625 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -59.06 -46.29 88.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.532 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -61.63 -40.42 94.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.461 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.73 -27.46 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.741 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.22 -42.35 75.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.903 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.72 -43.84 95.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.466 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.73 -40.15 94.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.668 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.862 ' NH1' ' HH ' ' A' ' 46' ' ' TYR . 99.6 mtt180 -82.46 -20.77 36.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 36.2 m120 55.69 40.5 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.8 mt -132.89 152.9 80.66 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.936 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.89 142.15 93.08 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.662 2.241 . . . . 1.0 112.308 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -61.65 -41.96 98.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -49.44 -41.55 40.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.392 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . 0.417 ' O ' ' OD2' ' B' ' 237' ' ' ASP . 65.4 t0 -68.06 -39.2 83.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.552 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.706 HD23 HH11 ' B' ' 231' ' ' ARG . 88.7 mt -65.36 -42.98 92.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.453 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.12 -41.84 99.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.66 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . 0.481 ' NH2' ' HD2' ' A' ' 15' ' ' ASP . 43.9 ttm180 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 -37.93 78.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.548 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.63 97.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.124 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.2 -54.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.23 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -52.26 -47.57 65.72 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.162 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -63.81 -40.81 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.788 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -59.68 -43.78 93.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.64 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.84 -39.7 92.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.003 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.76 -45.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 1.0 110.469 179.62 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.7 mtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.815 0.341 . . . . 1.0 110.523 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 142.86 48.44 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -99.87 117.81 34.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.041 0.448 . . . . 1.0 110.14 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -115.75 140.14 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-O 121.065 0.459 . . . . 1.0 110.594 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 13' ' ' LEU . 11.3 mp -98.64 125.89 44.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.032 0.444 . . . . 1.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -124.87 137.01 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.347 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 30.9 p-10 -125.99 136.07 52.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp -135.71 154.64 51.2 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -60.06 149.45 32.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.361 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -56.26 -39.62 72.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.383 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.65 -37.3 75.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.581 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.2 -43.95 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.575 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.28 -38.62 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.592 -0.521 . . . . 1.0 109.592 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.14 -37.48 87.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.476 ' O ' HD13 ' A' ' 27' ' ' LEU . 86.1 mt-30 -66.55 -46.95 74.42 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.73 -41.73 99.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.66 -47.66 84.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.94 -44.84 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 23' ' ' GLN . 6.7 mp -69.31 -30.95 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.863 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -67.55 -42.21 83.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.64 -43.34 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.626 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.95 -43.24 96.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.965 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HB2' HD11 ' A' ' 33' ' ' LEU . 30.9 mmt180 -69.35 -37.15 77.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' ARG . 2.7 m120 75.19 51.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -156.2 158.0 31.39 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.18 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 145.84 93.46 Favored 'Trans proline' 0 C--N 1.299 -2.061 0 C-N-CA 122.51 2.14 . . . . 1.0 112.295 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 35.1 ptt180 -61.18 -41.71 97.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.419 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.24 -40.21 33.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.164 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.68 -38.04 89.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.287 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.98 -41.88 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.017 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.82 -45.23 90.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.877 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.32 -43.01 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.34 -42.97 95.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.814 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.69 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.498 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -69.16 -52.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.577 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -55.77 -48.17 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 1.0 109.937 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -56.04 -40.94 74.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.729 0.3 . . . . 1.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.62 -39.09 90.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.721 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.74 -40.11 91.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.321 -179.574 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 73.0 mtp . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.991 0.424 . . . . 1.0 110.492 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -107.57 -165.34 21.77 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -155.04 124.33 6.34 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.029 0.442 . . . . 1.0 110.369 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.434 ' C ' HD23 ' B' ' 213' ' ' LEU . 57.5 mt -138.03 145.8 28.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.077 0.465 . . . . 1.0 110.505 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.497 ' N ' HD23 ' B' ' 213' ' ' LEU . 4.1 mm? -98.83 118.48 35.66 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.963 0.411 . . . . 1.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' B' ' 214' ' ' LEU . 34.8 tp -114.25 130.01 56.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.494 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -105.79 122.04 45.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.917 0.389 . . . . 1.0 110.705 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.7 mt -130.73 137.43 49.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 6.1 m -58.44 158.03 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -61.31 -38.63 87.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.66 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -59.01 -39.13 80.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.769 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.7 -44.41 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.12 -36.45 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.787 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.77 -36.81 84.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.33 -48.49 67.39 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.92 -42.31 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -57.66 -43.01 84.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.734 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.65 -41.32 94.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.55 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 49.4 mt -73.08 -29.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.839 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.43 -46.29 73.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 94.5 t -68.26 -42.41 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.08 -32.14 6.42 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 14.9 mmm180 -102.99 -88.93 0.39 Allowed 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.404 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 231' ' ' ARG . 6.5 m-20 165.8 19.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 56.0 mt -127.31 147.59 62.73 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.79 0.329 . . . . 1.0 110.981 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.85 170.5 18.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.817 2.345 . . . . 1.0 111.83 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -63.98 -42.24 97.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.336 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.09 -38.98 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.182 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -72.51 -40.3 66.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.933 0.397 . . . . 1.0 110.782 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -37.19 81.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.371 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . 0.428 ' HA ' HD21 ' B' ' 239' ' ' LEU . 85.3 mt -61.06 -41.86 97.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.61 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.91 -43.6 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.27 -42.0 76.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.26 86.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.985 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.17 -51.57 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.828 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.65 -46.43 70.55 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -63.76 -40.1 95.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.388 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.36 -42.86 99.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' B' ' 247' ' ' LEU . 94.6 mt -59.92 -43.71 94.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.304 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.18 -44.57 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 110.018 -0.364 . . . . 1.0 110.018 179.56 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' B' ' 216' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.225 -0.194 0 CA-C-O 121.218 0.532 . . . . 1.0 110.7 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -46.35 -24.3 1.55 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' GLY . 67.2 ttp85 59.28 121.71 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.942 0.401 . . . . 1.0 110.301 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 13' ' ' LEU . 91.0 mt -129.67 155.87 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.017 0.437 . . . . 1.0 110.395 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 14' ' ' LEU . 12.0 mt -102.63 129.06 49.09 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.251 0.548 . . . . 1.0 110.643 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.7 mm? -117.36 133.5 55.9 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.941 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -111.89 128.71 56.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.614 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.48 143.15 48.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.797 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -62.29 151.85 35.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.656 HD21 ' N ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -58.23 -24.53 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.452 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.656 ' N ' HD21 ' A' ' 18' ' ' ASN . 80.3 mm-40 -71.34 -39.91 71.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.671 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.61 -42.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.708 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.3 mt -56.52 -39.67 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -64.45 -35.39 80.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.361 -0.381 . . . . 1.0 109.999 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.14 -45.95 68.81 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.009 0.433 . . . . 1.0 109.85 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.4 -42.92 98.81 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' HG21 ' A' ' 29' ' ' VAL . 66.4 t0 -57.11 -48.7 77.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.684 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.69 -47.56 85.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.82 -32.41 73.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.723 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -65.62 -38.9 90.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.878 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 25' ' ' ASP . 71.0 t -62.21 -42.09 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.773 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.532 ' C ' ' HE ' ' A' ' 31' ' ' ARG . 98.1 mt-30 -64.82 -44.29 90.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.026 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.716 ' N ' ' HE ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -74.16 -24.91 59.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.781 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 57.08 46.22 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 1.0 110.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.835 ' O ' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -140.52 160.92 57.42 Favored Pre-proline 0 C--O 1.219 -0.515 0 CA-C-O 121.118 0.485 . . . . 1.0 109.98 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 142.55 97.87 Favored 'Trans proline' 0 C--N 1.299 -2.065 0 C-N-CA 122.86 2.373 . . . . 1.0 113.26 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -61.06 -41.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.518 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.08 -38.35 24.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.445 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.51 -38.47 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.652 ' HG ' HD22 ' A' ' 33' ' ' LEU . 39.7 mt -65.7 -44.59 85.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.873 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.59 -44.42 90.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.804 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.06 -44.11 82.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.188 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.12 -39.62 94.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.532 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.94 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.263 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.08 -52.49 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -52.56 -44.56 65.94 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -62.39 -39.85 94.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.297 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -62.21 -41.79 98.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 1.0 110.198 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.73 -41.95 99.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.246 -179.633 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.8 mmm . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.781 0.324 . . . . 1.0 110.341 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -117.4 -176.44 17.43 Favored Glycine 0 N--CA 1.465 0.598 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -141.33 127.12 19.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.069 0.461 . . . . 1.0 110.533 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 93.9 mt -135.59 140.26 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.551 ' N ' HD12 ' B' ' 213' ' ' LEU . 9.7 mp -98.87 130.29 45.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.298 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.718 HD13 ' H ' ' B' ' 215' ' ' ASP . 0.2 OUTLIER -123.36 135.16 54.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.092 179.449 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.718 ' H ' HD13 ' B' ' 214' ' ' LEU . 4.3 m-20 -95.49 119.62 34.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.675 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 9' ' ' MET . 3.5 mm? -109.13 -169.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.898 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.2 t -130.63 149.58 52.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -56.76 -38.52 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.347 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.9 -41.95 90.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.0 t -69.31 -45.01 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.604 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 89.9 mt -53.19 -35.17 22.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.269 -0.423 . . . . 1.0 109.877 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -66.31 -39.01 89.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.024 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.25 -46.87 78.8 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.994 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 89.6 mt -63.76 -42.27 97.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.668 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -57.33 -46.97 82.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -61.47 -45.93 92.19 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.433 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.91 -34.1 77.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.819 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' B' ' 228' ' ' GLU . 0.0 OUTLIER -65.61 -41.76 92.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.746 -179.442 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.14 -33.59 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.935 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.48 -37.01 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.31 0.381 . . . . 1.0 110.104 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 57.3 mtm180 -105.35 -88.49 0.44 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.677 -0.409 . . . . 1.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.553 ' C ' HD12 ' B' ' 233' ' ' LEU . 22.9 t30 168.22 18.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.601 0.563 . . . . 1.0 110.386 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.553 HD12 ' C ' ' B' ' 232' ' ' ASN . 11.3 mp -111.27 151.22 43.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.774 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.35 159.39 49.52 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.641 2.227 . . . . 1.0 111.94 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.5 ptt180 -64.98 -44.54 89.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.712 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.98 -39.19 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.249 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.88 -39.22 76.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.963 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.462 HD22 HH21 ' B' ' 231' ' ' ARG . 21.0 mt -68.3 -39.29 82.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.654 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.09 -42.71 99.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.488 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 -60.95 -41.41 96.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.279 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.05 -37.94 89.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.686 0.279 . . . . 1.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.49 98.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.204 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.22 -52.36 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.157 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -53.65 -48.97 68.9 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.57 -40.59 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.433 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -60.92 -42.8 98.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.87 -40.39 88.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.944 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.54 -44.69 99.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 123.36 0.413 . . . . 1.0 110.112 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 109.97 -0.382 . . . . 1.0 109.97 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.679 0.276 . . . . 1.0 110.366 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.59 128.28 7.75 Favored Glycine 0 N--CA 1.466 0.665 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.59 139.64 38.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 1.0 110.763 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 13' ' ' LEU . 96.5 mt -139.71 155.51 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.425 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.445 ' N ' HG22 ' A' ' 12' ' ' ILE . 33.3 tp -119.34 125.49 49.17 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.8 tp -121.51 131.12 53.96 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.544 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -108.38 117.27 33.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.708 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' O ' ' A' ' 17' ' ' SER . 60.1 mt -132.01 145.02 51.19 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.745 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 16' ' ' LEU . 75.7 m -55.45 -158.59 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -110.96 -27.84 8.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.673 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -67.76 -29.71 68.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.288 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.35 -43.61 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.38 -36.57 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -66.35 -37.91 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.218 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -65.43 -48.61 72.17 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.98 -39.42 85.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.7 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.483 ' O ' HG21 ' A' ' 29' ' ' VAL . 22.8 t70 -55.82 -42.12 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.554 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.0 -43.15 99.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.4 mp -75.98 -29.27 58.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.653 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' ASN . 15.6 tm-20 -75.48 -40.22 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.835 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 25' ' ' ASP . 42.3 t -62.18 -50.91 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.648 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -58.32 -44.41 88.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.29 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.582 ' NH1' ' HH ' ' B' ' 246' ' ' TYR . 90.1 mtt180 -72.64 -34.47 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.975 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLU . 13.0 t-20 63.48 52.13 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 15.9 mt -139.61 154.4 71.23 Favored Pre-proline 0 C--O 1.222 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.3 145.46 93.33 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.647 2.231 . . . . 1.0 112.273 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -60.77 -47.56 85.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.829 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.94 -42.06 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.391 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -64.79 -38.72 91.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.821 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.55 -40.55 89.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.799 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.84 -47.69 82.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.868 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.8 ttm-85 -60.45 -42.52 96.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.4 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -68.46 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.16 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.405 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.59 -53.72 32.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -50.58 -45.23 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.048 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -56.57 -40.78 75.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.39 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.27 -42.69 99.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.26 -39.26 86.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.666 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.12 -179.386 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 43.7 mmm . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.871 0.367 . . . . 1.0 110.304 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -100.97 -14.58 30.9 Favored Glycine 0 N--CA 1.463 0.449 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' B' ' 210' ' ' GLY . 71.7 ttt180 56.26 126.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.152 0.501 . . . . 1.0 110.472 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.404 ' C ' HD12 ' B' ' 213' ' ' LEU . 18.4 mt -141.01 142.06 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.46 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.549 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.3 mp -96.8 136.35 37.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.306 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 54.6 tp -133.0 138.15 46.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.609 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' B' ' 215' ' ' ASP . 42.5 p-10 -123.45 122.36 38.04 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.655 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.46 153.52 43.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.8 m -65.75 158.51 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.99 -39.56 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.584 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . 0.554 ' O ' ' NE2' ' B' ' 223' ' ' GLN . 59.1 mp0 -58.39 -36.7 73.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.619 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.85 -41.91 91.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 1.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 66.8 mt -54.1 -36.27 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.186 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.54 -46.76 81.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.1 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' B' ' 219' ' ' GLU . 1.1 mp0 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 110.204 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.44 -39.59 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . 0.405 ' O ' HG21 ' B' ' 229' ' ' VAL . 56.7 t0 -56.41 -44.37 80.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.13 -41.88 93.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.443 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.49 -32.25 66.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.708 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -71.13 -40.89 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.561 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 78.5 t -66.25 -51.4 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.933 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -55.23 -43.72 74.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.706 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.6 ' HB3' HD23 ' B' ' 233' ' ' LEU . 10.4 mpt_? -78.81 -18.63 53.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.731 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 56.9 m-80 55.43 36.63 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.856 0.36 . . . . 1.0 110.541 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.83 ' O ' HD21 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -132.11 159.86 70.33 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.027 0.442 . . . . 1.0 110.018 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.04 140.45 95.32 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.839 2.359 . . . . 1.0 112.608 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.3 ptp180 -59.71 -43.53 94.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -47.86 -38.96 17.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.218 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' B' ' 237' ' ' ASP . 63.8 t0 -66.63 -39.35 88.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.889 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.7 ' HG ' HD22 ' B' ' 233' ' ' LEU . 34.1 mt -64.48 -40.54 95.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.81 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.87 -44.68 96.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -57.52 -44.41 85.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.259 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.47 -39.96 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.656 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.77 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.379 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.13 -53.76 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.366 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -50.9 -49.32 59.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -59.2 -41.79 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.552 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . 0.582 ' HH ' ' NH1' ' A' ' 31' ' ' ARG . 66.7 t80 -63.02 -45.54 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.38 -42.29 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.912 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.96 -45.59 98.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.386 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 1.0 110.524 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.9 mtp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.837 0.351 . . . . 1.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -91.95 -26.06 20.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.519 -0.632 . . . . 1.0 111.519 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 71.8 ttt180 56.29 125.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.333 0.587 . . . . 1.0 110.179 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.9 mt -143.3 147.69 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.499 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.9 mp -97.73 133.79 41.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.06 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.404 HD13 HD13 ' B' ' 239' ' ' LEU . 40.3 tp -113.96 122.48 47.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -103.16 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.677 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' B' ' 209' ' ' MET . 13.5 mt -98.57 -171.67 2.17 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.628 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -105.22 4.42 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.641 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' B' ' 210' ' ' GLY . 2.0 m-20 76.79 -41.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.26 0.35 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 17' ' ' SER . 96.3 mt-10 -70.01 -25.32 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.125 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.2 t -76.62 -31.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.292 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.68 -41.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -65.29 -35.61 81.53 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -48.42 71.33 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.11 -32.95 74.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.569 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.23 -40.63 86.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -63.91 -38.43 91.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.454 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.7 mp -76.39 -28.96 56.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.872 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.65 -39.31 88.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.562 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.7 -49.51 79.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.807 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -57.64 -44.39 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.28 -22.84 54.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 56.41 42.01 28.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.64 153.14 72.08 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -56.44 142.51 89.07 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.716 2.277 . . . . 1.0 112.277 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' NH2' HD11 ' B' ' 212' ' ' ILE . 54.1 ttp180 -58.58 -48.04 82.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.711 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.75 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.541 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -65.12 -38.01 89.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.876 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.75 -39.95 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.829 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -47.07 86.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.466 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.87 -43.76 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.22 -41.53 85.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.378 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -67.32 -52.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -53.22 -48.73 67.91 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.24 -39.02 93.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.822 0.344 . . . . 1.0 110.488 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -58.9 -40.42 84.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.43 -42.81 96.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.9 mm . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.604 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 209' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 34.8 mmm . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.905 0.383 . . . . 1.0 110.249 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' A' ' 18' ' ' ASN . . . -106.04 -24.45 6.9 Favored Glycine 0 N--CA 1.465 0.572 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 73.4 ttt180 57.26 122.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.994 0.426 . . . . 1.0 110.48 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.435 HD13 HD12 ' A' ' 16' ' ' LEU . 30.6 mt -142.44 148.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.528 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.527 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.0 mp -92.28 144.64 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.278 0.561 . . . . 1.0 110.394 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.652 HD21 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -142.43 144.69 33.18 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.65 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.652 ' H ' HD21 ' B' ' 214' ' ' LEU . 3.4 m-20 -101.86 106.85 17.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.623 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 215' ' ' ASP . 3.9 mm? -119.87 137.35 54.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.027 178.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 12.4 m -66.28 156.2 35.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.424 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -69.42 -24.45 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.657 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.33 -35.81 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.594 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.09 -42.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.353 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.2 -38.65 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -63.89 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -67.89 -48.46 65.98 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.951 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.26 -39.61 91.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.485 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -51.01 -41.14 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -61.79 -40.94 96.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 1.0 110.497 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . 0.482 ' N ' HD12 ' B' ' 227' ' ' LEU . 9.8 mp -69.42 -28.31 66.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.522 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 7.4 tm-20 -68.58 -42.53 78.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.197 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . 0.447 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 83.0 t -74.87 -42.5 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.68 -47.08 85.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.112 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -91.05 -10.38 42.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.924 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 94.1 m-20 51.56 48.92 21.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.686 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.463 ' O ' ' OE2' ' B' ' 228' ' ' GLU . 17.7 mt -139.0 150.65 65.93 Favored Pre-proline 0 C--O 1.217 -0.611 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.575 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.85 150.93 51.62 Favored 'Trans proline' 0 C--N 1.301 -1.931 0 C-N-CA 122.982 2.455 . . . . 1.0 112.851 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.07 -48.76 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.256 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.3 -40.85 8.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.208 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.61 -39.03 91.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.615 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' B' ' 238' ' ' LEU . 87.3 mt -64.49 -42.73 95.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.76 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . 0.404 HD13 HD13 ' A' ' 14' ' ' LEU . 96.5 mt -63.63 -47.94 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.505 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -58.35 -44.87 88.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.82 -41.03 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.413 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.32 80.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.164 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.23 -52.06 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -51.63 -48.2 63.41 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -59.44 -40.6 87.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.48 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.07 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.83 -41.68 96.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.619 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.95 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.994 0.426 . . . . 1.0 109.946 179.771 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.6 mtm . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.793 0.33 . . . . 1.0 110.72 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.44 29.56 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -101.81 144.77 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' B' ' 214' ' ' LEU . 52.5 mt -138.22 137.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 1.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.562 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.8 mm? -93.42 124.01 37.12 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.074 0.464 . . . . 1.0 110.5 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.2 mm? -116.89 131.21 57.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' C ' HD23 ' A' ' 16' ' ' LEU . 96.6 m-20 -102.13 110.59 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 15' ' ' ASP . 4.4 mm? -105.44 -165.97 1.17 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.6 -154.39 0.54 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.031 0.443 . . . . 1.0 110.358 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -111.21 -38.58 4.98 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.194 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -28.36 64.66 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.072 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.59 -37.97 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 120.944 0.402 . . . . 1.0 110.244 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.51 -42.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.399 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.76 -38.6 91.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.19 -45.58 80.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.305 -0.407 . . . . 1.0 109.925 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.28 -45.3 92.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.899 0.381 . . . . 1.0 110.799 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.28 -47.5 85.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.52 -45.35 92.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.04 -30.8 70.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.66 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' ASN . 21.3 mt-10 -66.9 -42.29 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.668 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.47 -42.43 96.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.613 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.98 -46.21 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.629 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -80.82 -12.71 59.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.596 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 14.1 m120 56.04 37.95 29.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.1 mt -134.05 150.54 74.61 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.812 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 154.7 72.69 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.719 2.279 . . . . 1.0 112.134 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 9.7 ptp85 -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.495 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.5 -39.3 33.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.107 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -69.75 -39.99 76.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.34 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.9 -41.99 86.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.49 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.71 -44.56 89.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.761 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -57.78 -42.98 85.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.258 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.69 -38.01 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.452 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.16 -44.54 97.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.09 -53.96 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.289 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.35 -44.58 68.62 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.117 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.78 -36.48 84.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.868 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.479 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.22 -46.94 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.463 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.331 -0.197 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 71.1 mmm . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.968 0.413 . . . . 1.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -116.93 120.86 4.96 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 110.864 -0.895 . . . . 1.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -82.24 136.46 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.06 0.457 . . . . 1.0 110.546 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.523 HG22 ' N ' ' B' ' 213' ' ' LEU . 96.8 mt -137.39 158.66 35.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.379 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.544 HD21 ' N ' ' B' ' 214' ' ' LEU . 1.2 tt -113.54 112.42 23.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.072 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.544 ' N ' HD21 ' B' ' 213' ' ' LEU . 33.6 tp -113.23 131.21 55.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.639 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 44.7 p-10 -121.15 122.94 41.09 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.453 . . . . 1.0 110.502 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.3 mt -129.58 152.28 49.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.651 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.1 m -55.67 152.25 9.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -61.57 -38.46 87.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.263 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -56.86 -33.9 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.417 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.35 -43.07 81.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.43 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.76 -37.04 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.73 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.9 -38.0 87.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 1.0 109.958 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.01 -48.01 72.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.237 -0.438 . . . . 1.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.94 -41.23 86.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.429 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.5 -41.1 80.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.449 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.43 -46.56 89.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.42 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . 0.405 ' N ' HD12 ' B' ' 227' ' ' LEU . 8.9 mp -66.42 -31.84 72.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.522 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 232' ' ' ASN . 32.3 mt-10 -63.85 -43.63 95.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.23 -43.17 95.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.564 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -65.49 -38.23 89.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.486 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.42 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 6.8 mmp_? -93.78 -3.03 52.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.631 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 228' ' ' GLU . 3.9 p-10 43.6 37.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.503 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.2 mt -133.64 151.65 77.55 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.693 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.76 149.91 89.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.58 2.186 . . . . 1.0 112.205 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.7 ptp180 -60.1 -42.76 95.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.492 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.44 -41.83 30.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.395 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -70.14 -40.24 74.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.548 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.26 -42.03 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.65 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.28 -42.11 99.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.574 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -55.86 -44.97 78.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.283 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -69.19 -37.39 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.06 88.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.385 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.58 -53.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -55.55 -49.45 72.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -54.59 -41.89 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.637 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -63.53 -44.18 95.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 1.0 110.487 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.61 -35.85 80.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.69 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.86 -44.01 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 67.3 t30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.149 179.444 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.4 ' SD ' ' OG ' ' B' ' 217' ' ' SER . 63.1 mtm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.835 0.35 . . . . 1.0 110.408 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -179.94 24.66 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.653 -0.979 . . . . 1.0 110.653 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -130.38 128.58 41.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.834 0.349 . . . . 1.0 110.538 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 mm -127.31 147.37 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.711 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.8 mp -98.76 136.03 39.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.326 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -130.07 136.36 49.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.435 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -120.57 123.93 44.06 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.3 mt -129.34 151.46 49.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -66.59 156.22 35.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.472 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -61.22 -31.57 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.462 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.88 -35.03 77.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.95 -41.76 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.385 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.6 mt -53.96 -41.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.018 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.18 -37.84 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 1.0 110.277 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.01 -48.95 69.47 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.31 -38.69 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' O ' HG21 ' A' ' 29' ' ' VAL . 47.1 t0 -55.0 -45.94 75.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.552 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -60.51 -44.04 96.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.1 mp -74.48 -28.57 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.93 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASN . 8.3 tm-20 -76.2 -42.13 47.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.82 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 25' ' ' ASP . 57.8 t -66.38 -51.54 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.67 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -52.44 -45.91 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.51 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.598 ' HE ' HD22 ' A' ' 33' ' ' LEU . 72.2 mtp85 -81.73 -32.86 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.756 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' GLU . 55.2 t30 63.19 65.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.898 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.598 HD22 ' HE ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -150.27 159.24 35.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.355 0.598 . . . . 1.0 110.586 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.46 141.69 95.08 Favored 'Trans proline' 0 C--N 1.3 -1.978 0 C-N-CA 122.703 2.268 . . . . 1.0 112.175 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.425 HH11 ' CD1' ' B' ' 212' ' ' ILE . 44.6 ttm180 -61.31 -43.88 98.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.475 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.36 -41.06 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.287 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.46 -39.7 95.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.68 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.97 -43.39 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.66 -47.78 82.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.789 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -57.89 -43.9 86.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.484 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.36 -39.63 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.9 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.307 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.92 -51.62 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.148 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -52.83 -48.05 67.25 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -56.54 -42.28 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.744 0.307 . . . . 1.0 110.479 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -63.69 -43.2 97.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.036 0.446 . . . . 1.0 110.608 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.28 -40.67 97.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.333 -179.434 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 79.5 mtp . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.748 0.309 . . . . 1.0 110.311 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -113.09 179.83 19.2 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -139.47 128.62 23.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 1.0 110.404 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.425 ' CD1' HH11 ' A' ' 35' ' ' ARG . 82.6 mt -135.52 149.32 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.334 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.485 HD12 ' N ' ' B' ' 213' ' ' LEU . 11.2 mp -102.23 128.24 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.986 0.422 . . . . 1.0 110.238 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.67 132.8 54.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.644 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -113.05 128.37 56.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.63 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 64.1 mt -128.54 140.01 52.01 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 217' ' ' SER . . . . . 0.4 ' OG ' ' SD ' ' A' ' 9' ' ' MET . 9.1 m -66.02 155.49 36.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.367 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -57.94 -38.03 75.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.362 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.76 -41.36 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.537 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.64 -39.62 47.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.77 -37.75 88.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 1.0 110.248 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.38 -48.52 75.14 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 121.032 0.444 . . . . 1.0 109.913 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.5 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.475 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.37 -40.22 85.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -65.52 -38.96 91.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.655 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.99 -29.63 63.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.847 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' B' ' 233' ' ' LEU . 6.0 tm-20 -69.46 -42.08 75.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.959 0.409 . . . . 1.0 110.912 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.61 -48.26 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.838 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.01 -45.92 89.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.698 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -78.14 -26.36 47.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.936 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 66.7 t30 58.92 42.9 18.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 16.0 mt -138.52 153.96 73.0 Favored Pre-proline 0 C--O 1.222 -0.361 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.001 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.82 144.52 99.44 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.764 2.309 . . . . 1.0 112.288 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 30.5 ptt180 -58.62 -45.29 89.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -45.8 -43.19 13.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.116 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.99 -39.74 93.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.406 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.04 -40.64 95.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.727 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.79 -48.03 82.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.41 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -59.18 -43.5 92.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -65.86 -38.35 88.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.12 87.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.59 -53.79 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -49.81 -48.69 50.64 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.02 -41.36 99.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 1.0 110.558 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.29 -47.95 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.491 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.14 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.39 -48.61 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.591 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 51.1 t30 . . . . . 0 CA--C 1.534 0.343 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.514 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mmm . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.928 0.394 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.67 154.97 16.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -123.89 120.11 31.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.996 0.426 . . . . 1.0 110.482 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.4 ' C ' HD12 ' A' ' 13' ' ' LEU . 93.3 mt -137.2 152.76 28.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.5 mp -99.33 139.59 34.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.783 HD21 ' H ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -134.47 140.85 46.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.539 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.783 ' H ' HD21 ' A' ' 14' ' ' LEU . 46.2 p-10 -119.66 127.28 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.722 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -131.31 148.51 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -59.67 152.32 22.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -62.55 -37.66 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.598 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -56.18 -35.57 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.545 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -68.31 -42.68 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.93 -39.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.24 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.04 -39.38 93.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.14 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -66.32 -48.97 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.193 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.28 -40.19 96.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.295 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -59.66 -42.94 93.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.508 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.399 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.12 -28.69 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -66.01 -41.48 90.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.543 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.2 -43.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.82 -44.32 97.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.851 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -77.89 -11.77 59.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 53.31 34.29 17.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.2 mt -135.04 153.92 78.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.17 145.51 97.51 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 122.733 2.288 . . . . 1.0 112.0 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 40.4 ptt180 -61.13 -41.57 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.595 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.95 -42.25 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.289 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -66.2 -40.31 90.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.473 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.727 HD13 HD22 ' B' ' 214' ' ' LEU . 88.7 mt -61.34 -44.4 97.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.554 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.77 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.359 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.74 -50.63 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.332 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -54.54 -48.79 71.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.954 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -57.17 -42.27 80.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.423 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.698 ' HH ' HH12 ' B' ' 231' ' ' ARG . 41.5 t80 -63.51 -42.01 98.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.436 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -42.64 97.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 1.0 109.863 179.355 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 77.4 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.329 . . . . 1.0 110.485 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.92 35.02 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -77.03 130.23 37.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 1.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.441 HG22 ' N ' ' B' ' 213' ' ' LEU . 87.5 mt -134.53 154.94 38.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.493 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.441 ' N ' HG22 ' B' ' 212' ' ' ILE . 0.1 OUTLIER -111.32 128.66 56.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.994 0.426 . . . . 1.0 110.363 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.727 HD22 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -115.44 131.52 56.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -101.95 111.13 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.4 mt -116.81 130.61 56.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.668 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 1.6 t -63.12 149.05 46.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.439 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -55.57 -38.24 69.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.47 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 66.7 t -68.24 -42.39 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 1.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -55.34 -39.58 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.03 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.18 -48.22 68.61 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.051 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . 0.544 ' C ' HH12 ' B' ' 235' ' ' ARG . 63.3 mt -65.49 -39.86 92.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.419 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -57.87 -47.08 83.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.576 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.69 -39.83 92.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.999 0.428 . . . . 1.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' B' ' 232' ' ' ASN . 38.5 tt0 -60.88 -42.69 98.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.709 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.19 -41.91 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.816 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -55.17 -47.91 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.942 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.698 HH12 ' HH ' ' A' ' 46' ' ' TYR . 99.3 mtt180 -92.74 -15.72 26.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.716 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' B' ' 228' ' ' GLU . 18.8 m120 57.13 36.75 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 84.6 mt -109.6 156.0 40.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 1.0 110.536 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.16 144.51 99.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.531 2.154 . . . . 1.0 112.272 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.544 HH12 ' C ' ' B' ' 224' ' ' LEU . 4.7 tpm_? -61.28 -54.02 49.4 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.023 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -53.33 -38.2 63.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.2 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . 0.435 ' O ' ' OE1' ' B' ' 241' ' ' GLU . 62.3 t0 -66.54 -40.76 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 1.0 110.612 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.514 HD13 HH21 ' B' ' 235' ' ' ARG . 78.8 mt -66.94 -40.7 87.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.787 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.37 -44.16 97.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.568 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -57.38 -42.6 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.184 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' B' ' 241' ' ' GLU . 1.4 mp0 -63.36 -42.65 98.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.8 78.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.511 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.8 -53.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.534 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.38 -43.57 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.031 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -58.05 -41.07 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.424 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.47 -42.52 98.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.595 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.99 -41.72 98.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.753 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.48 -45.33 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.3 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.071 179.035 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' A' ' 9' ' ' MET . 81.7 mtp . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.756 0.312 . . . . 1.0 110.229 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.53 138.58 30.59 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.505 HH21 HD21 ' B' ' 213' ' ' LEU . 28.8 ttt85 -84.0 141.09 31.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' C ' HD23 ' A' ' 13' ' ' LEU . 75.9 mt -133.51 149.8 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 1.0 110.51 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 12' ' ' ILE . 4.2 mm? -104.21 111.85 24.63 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.344 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' B' ' 212' ' ' ILE . 49.4 tp -108.77 126.59 53.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.213 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -115.85 124.26 50.21 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.973 0.416 . . . . 1.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -134.6 151.19 50.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.725 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -63.63 157.55 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.562 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -63.09 -37.53 87.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.525 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -57.39 -32.73 67.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.4 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.15 -44.19 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.67 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.9 mt -53.38 -38.17 31.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -64.57 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 1.0 110.005 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -67.09 -48.31 68.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.193 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.37 -40.89 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -51.86 -42.11 62.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.397 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -59.6 -43.17 93.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.401 . . . . 1.0 110.257 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.0 mp -70.26 -29.67 66.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.428 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.5 mt-10 -70.98 -39.93 72.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.91 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.24 -50.06 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.759 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.353 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -85.05 -15.92 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.804 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' GLU . 11.1 m120 56.89 37.87 29.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.297 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.3 mt -136.52 152.62 75.08 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.028 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.45 151.44 84.94 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.62 2.213 . . . . 1.0 112.055 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -58.82 -45.26 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.842 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.23 -37.92 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.052 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 37' ' ' ASP . 66.1 t0 -68.73 -37.82 79.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 1.0 110.741 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.75 -39.83 91.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.65 -44.04 97.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.757 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -60.63 -43.21 97.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.19 -40.36 82.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.58 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.38 96.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.32 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.85 -53.51 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.2 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.31 -48.66 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.853 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.62 -41.19 98.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.704 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -60.99 -44.59 97.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.64 -46.74 88.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.479 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.322 -0.619 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.63 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 57.2 mtp . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.854 0.359 . . . . 1.0 110.273 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -101.23 -19.36 16.77 Favored Glycine 0 N--CA 1.461 0.365 0 N-CA-C 111.57 -0.612 . . . . 1.0 111.57 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.5 ttm-85 57.38 124.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.008 0.432 . . . . 1.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.474 ' C ' HD12 ' B' ' 213' ' ' LEU . 90.5 mt -136.96 148.8 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.285 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.562 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.2 mp -101.33 131.68 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ILE . 59.1 tp -131.38 138.32 49.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 215' ' ' ASP . 37.9 p-10 -129.51 133.08 47.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 1.0 110.7 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.498 ' O ' ' O ' ' B' ' 217' ' ' SER . 91.4 mt -135.37 160.82 37.24 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.474 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 217' ' ' SER . . . . . 0.498 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -53.65 -159.08 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.364 179.572 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -103.95 -43.81 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.797 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -59.32 -27.57 66.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.352 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.38 -43.7 78.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.547 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.96 -34.74 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -68.17 -38.52 82.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.088 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.38 -46.82 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.912 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.5 mt -63.0 -39.35 94.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.689 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -54.84 -42.55 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.573 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.28 -40.11 89.23 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.646 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.71 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.79 -39.26 73.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.199 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 64.7 t -86.9 -36.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.905 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -43.87 -27.45 0.35 Allowed 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 83.7 mtt85 -117.98 -92.72 0.52 Allowed 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 120.361 -0.535 . . . . 1.0 110.867 178.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.53 ' H ' HD12 ' B' ' 233' ' ' LEU . 19.3 t30 165.92 60.71 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.82 0.7 . . . . 1.0 110.997 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.773 ' C ' HD23 ' B' ' 233' ' ' LEU . 0.0 OUTLIER -164.12 156.03 14.42 Favored Pre-proline 0 C--N 1.312 -1.03 0 CA-C-O 121.385 0.612 . . . . 1.0 110.174 -177.627 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . 0.522 ' O ' HD23 ' B' ' 233' ' ' LEU . 19.8 Cg_endo -57.94 142.51 96.59 Favored 'Trans proline' 0 C--N 1.293 -2.36 0 C-N-CA 122.37 2.047 . . . . 1.0 113.882 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 20.1 ptp180 -57.98 -40.73 81.39 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.25 0.548 . . . . 1.0 110.658 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -46.12 -43.1 14.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.143 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . 0.512 ' HB2' HD21 ' B' ' 233' ' ' LEU . 58.1 m-20 -63.59 -35.36 80.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.519 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.429 ' HG ' HD22 ' B' ' 233' ' ' LEU . 6.8 mt -67.14 -39.31 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.933 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' B' ' 239' ' ' LEU . 92.6 mt -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.99 -42.04 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.345 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.7 -37.25 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.622 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.51 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.75 -53.73 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.448 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -51.07 -47.12 61.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 1.0 109.856 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -63.06 -40.59 98.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.554 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.84 -44.1 97.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.288 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.19 -44.61 97.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.324 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.07 -46.02 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.112 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.588 179.666 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.1 mtp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.807 0.337 . . . . 1.0 110.317 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -61.45 121.49 26.3 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.512 ' HD2' HD11 ' B' ' 213' ' ' LEU . 61.0 ttp180 -74.1 130.75 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 1.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -134.57 142.22 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.919 0.39 . . . . 1.0 110.088 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.9 mp -98.97 126.5 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.256 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.8 tp -114.18 128.4 56.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.0 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -109.15 111.11 22.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.505 ' O ' ' SD ' ' B' ' 209' ' ' MET . 82.5 mt -104.68 -162.28 0.88 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.056 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -130.16 152.17 49.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 1.0 110.284 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -51.27 -39.27 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.418 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.8 -38.73 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.54 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.5 -45.01 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.413 . . . . 1.0 110.754 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.24 -34.69 22.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 1.0 109.929 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.83 -40.35 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.168 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.06 -47.5 79.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.104 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.5 -41.91 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.78 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.21 -41.31 83.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -58.34 -40.75 82.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.04 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.19 -30.58 65.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.65 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.3 mt-10 -70.63 -40.84 72.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.805 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.88 -49.66 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.78 -45.37 94.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.59 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.524 ' NH1' HD23 ' A' ' 38' ' ' LEU . 78.2 mtp180 -84.51 -14.84 47.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.768 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' GLU . 15.4 m120 55.48 40.91 31.29 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.536 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 mt -133.59 151.87 78.01 Favored Pre-proline 0 N--CA 1.463 0.178 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.03 151.56 84.06 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.551 2.167 . . . . 1.0 112.161 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 20.7 ptp180 -64.3 -45.82 86.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.284 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -45.59 -41.24 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.104 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.66 -38.67 84.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.542 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 ' NH1' ' A' ' 31' ' ' ARG . 97.5 mt -67.87 -39.46 83.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.647 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.22 -45.28 94.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -56.34 -42.64 78.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.127 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 81.0 mm-40 -68.71 -36.98 79.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.445 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.73 81.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.08 -54.21 37.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 120.694 -0.403 . . . . 1.0 110.463 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -53.46 -50.95 64.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.128 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 1.8 mp0 -65.06 -37.6 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.408 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -61.01 -44.65 97.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.551 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.421 HD21 HD11 ' B' ' 227' ' ' LEU . 8.7 mt -57.4 -47.94 80.39 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.756 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.5 mt . . . . . 0 C--N 1.321 -0.648 0 CA-C-O 121.182 0.515 . . . . 1.0 110.846 179.359 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 209' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 9.0 mmm . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 110.208 -0.293 . . . . 1.0 110.208 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -115.65 -7.55 15.57 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 111.149 -0.78 . . . . 1.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.1 ttp180 58.16 133.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.026 0.441 . . . . 1.0 110.419 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.498 ' CD1' HD12 ' A' ' 16' ' ' LEU . 95.6 mt -140.76 154.99 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.13 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.512 HD11 ' HD2' ' A' ' 11' ' ' ARG . 9.8 tp -113.87 140.08 48.65 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.602 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.729 HD21 ' H ' ' B' ' 215' ' ' ASP . 0.4 OUTLIER -143.09 146.93 34.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.766 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.729 ' H ' HD21 ' B' ' 214' ' ' LEU . 92.3 m-20 -114.59 115.3 26.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.694 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 10' ' ' GLY . 4.1 mm? -115.51 145.76 42.32 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.873 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 65.4 m -59.03 -160.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.344 -0.844 . . . . 1.0 109.819 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -107.2 -22.24 12.68 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.669 0.271 . . . . 1.0 110.52 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . 0.558 ' OE2' ' N ' ' B' ' 219' ' ' GLU . 55.4 mp0 -75.97 -32.8 59.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.692 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.49 -45.07 79.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.77 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -52.96 -34.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 1.0 109.897 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.53 -39.97 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.206 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -66.19 -46.95 75.54 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.004 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.68 -41.98 99.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.88 -40.12 91.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.212 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.91 -38.83 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.033 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . 0.421 HD11 HD21 ' A' ' 47' ' ' LEU . 95.5 mt -73.24 -29.3 62.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.678 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 232' ' ' ASN . 41.3 mt-10 -70.65 -39.04 73.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.852 0.358 . . . . 1.0 110.752 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.1 -49.41 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.4 -46.11 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.674 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -82.92 -14.17 54.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.71 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' B' ' 228' ' ' GLU . 76.8 m-20 51.31 46.89 25.81 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.783 ' O ' HD21 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -135.91 158.09 74.64 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.68 148.7 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.741 2.294 . . . . 1.0 112.808 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 235' ' ' ARG . 39.3 ttp-105 -60.39 -44.81 95.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.355 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.92 -41.14 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.249 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -65.53 -37.55 87.07 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.581 ' HG ' HD22 ' B' ' 233' ' ' LEU . 42.4 mt -66.48 -42.3 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.867 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.18 -46.84 82.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.819 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.63 -44.05 93.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.97 -38.21 82.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.767 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.17 96.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.82 -52.15 53.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.149 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -52.08 -47.34 65.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.933 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.98 -41.71 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.846 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.55 -41.72 95.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.799 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.52 -44.44 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.049 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.125 179.848 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 72.2 mtp . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 120.838 0.352 . . . . 1.0 110.415 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.78 140.02 10.41 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -91.32 147.53 22.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 1.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' B' ' 214' ' ' LEU . 8.1 mm -134.13 154.93 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.581 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 12' ' ' ILE . 37.3 tp -116.62 121.47 41.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -127.81 138.17 52.63 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.455 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 15' ' ' ASP . 41.1 p-10 -115.0 113.99 24.83 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.801 0.334 . . . . 1.0 110.793 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -114.7 139.49 49.62 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.766 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -56.99 157.43 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.251 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.743 HD21 ' H ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -65.53 -26.67 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.577 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.743 ' H ' HD21 ' A' ' 18' ' ' ASN . 79.6 tt0 -67.74 -38.9 84.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.554 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.19 -43.24 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.533 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.6 -36.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -66.08 -40.59 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.274 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -63.64 -48.91 75.32 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.749 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.88 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.646 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -42.87 82.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -61.76 -42.84 99.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 1.0 110.195 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.19 -33.3 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.746 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 32' ' ' ASN . 33.5 mt-10 -65.12 -43.29 92.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.83 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.44 -44.29 98.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -67.49 -40.48 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 39.1 mmm-85 -88.21 -3.47 58.86 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.808 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' GLU . 5.0 p-10 43.6 41.37 3.42 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -135.08 150.55 73.3 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.943 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.52 152.48 78.42 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.541 2.161 . . . . 1.0 112.058 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -62.47 -40.31 96.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.7 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.65 52.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.368 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -65.13 -42.14 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.53 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.81 -41.46 95.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.797 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.58 -41.95 99.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.734 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.57 -43.54 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.188 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.31 -44.52 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.95 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.583 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.72 -53.66 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.839 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -56.84 -44.79 82.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.322 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -54.84 -45.36 74.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.695 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -64.83 -45.18 87.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' CD2' ' CD1' ' B' ' 227' ' ' LEU . 49.4 mt -62.61 -44.85 95.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.155 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 C--N 1.314 -0.953 0 C-N-CA 120.791 -0.364 . . . . 1.0 110.482 179.841 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 54.7 mmm . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.728 0.299 . . . . 1.0 110.213 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -113.58 -8.54 18.59 Favored Glycine 0 N--CA 1.466 0.7 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 80.7 ttt180 56.2 117.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 1.0 110.163 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.4 mm -121.41 147.37 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 22.2 tp -110.42 121.09 44.45 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.215 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 12' ' ' ILE . 41.8 tp -128.96 140.11 51.8 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.776 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' B' ' 215' ' ' ASP . 22.2 p30 -127.7 123.88 36.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.454 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' B' ' 217' ' ' SER . 63.4 mt -122.59 152.72 40.15 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.623 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 217' ' ' SER . . . . . 0.615 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -47.31 -158.76 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.876 0.735 . . . . 1.0 110.664 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -106.18 -39.1 6.06 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 122.034 -0.416 . . . . 1.0 110.94 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -32.27 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.352 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.26 -47.6 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.467 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.18 -33.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.2 -39.67 89.83 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.98 -46.7 88.09 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' B' ' 224' ' ' LEU . 3.4 mm? -62.53 -43.68 98.21 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.677 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.82 -47.88 81.37 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 123.553 0.533 . . . . 1.0 110.466 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.61 -47.13 87.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . 0.419 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.2 mt -65.86 -34.14 77.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.915 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 3.6 tm-20 -65.75 -42.5 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.033 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.876 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.83 -42.99 72.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.976 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.471 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.5 mmm180 -68.4 -38.61 81.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.661 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 50.2 t30 73.39 48.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.17 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.606 ' O ' HD12 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.83 158.72 32.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.51 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.16 145.13 93.87 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.492 2.128 . . . . 1.0 112.235 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -61.44 -38.75 88.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.353 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.26 54.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.122 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.09 -40.64 98.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 109.996 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.444 HD22 ' HE ' ' B' ' 231' ' ' ARG . 83.0 mt -63.38 -43.34 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.088 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.68 -44.09 94.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.22 -42.43 90.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.359 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.24 -39.28 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.56 93.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.501 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.06 -53.62 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.473 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -53.86 -48.45 69.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.856 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -56.79 -42.72 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.73 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.08 -43.2 99.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.481 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.29 -45.11 95.84 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.529 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 89.1 mt -53.92 -43.4 57.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.518 179.628 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.516 ' SD ' ' OG ' ' B' ' 217' ' ' SER . 90.5 mmm . . . . . 0 CA--C 1.524 -0.041 0 CA-C-O 120.875 0.369 . . . . 1.0 110.688 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.26 129.55 14.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -84.26 145.01 28.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 1.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.406 ' C ' HD23 ' A' ' 13' ' ' LEU . 64.9 mt -139.49 149.51 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.579 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 13' ' ' LEU . 3.9 mm? -95.4 123.88 39.15 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 120.989 0.423 . . . . 1.0 110.669 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.727 HD22 HD13 ' B' ' 239' ' ' LEU . 0.8 OUTLIER -114.12 130.3 56.59 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.437 -0.801 . . . . 1.0 111.08 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -101.58 111.06 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.616 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' B' ' 210' ' ' GLY . 20.8 mt -124.55 132.96 53.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.514 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.02 155.01 11.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.397 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -59.97 -36.65 77.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.425 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 19' ' ' GLU . 54.2 mp0 -56.57 -36.19 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.621 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.57 -43.16 80.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.941 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.7 mm -52.97 -40.68 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.087 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -63.69 -40.24 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.312 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.02 -47.18 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.067 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 73.0 mt -58.19 -44.3 87.97 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.401 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.628 ' O ' HG21 ' A' ' 29' ' ' VAL . 27.5 t70 -62.14 -34.77 76.99 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.954 0.406 . . . . 1.0 110.667 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -66.44 -50.29 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.449 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 pp -79.53 -28.89 41.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.289 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 78.1 tt0 -75.66 -38.23 58.96 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.975 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.628 HG21 ' O ' ' A' ' 25' ' ' ASP . 40.7 t -65.41 -45.99 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.224 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -67.46 -36.69 81.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.579 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -71.73 -17.91 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.62 41.02 32.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 mt -137.73 152.23 72.16 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.795 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.87 144.41 93.36 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.565 2.177 . . . . 1.0 112.145 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 36' ' ' ALA . 49.7 ptt85 -60.49 -39.91 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.323 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 35' ' ' ARG . . . -49.16 -41.25 35.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.097 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.03 -42.8 80.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.748 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.86 -42.53 85.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.63 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.718 HD13 HD22 ' B' ' 214' ' ' LEU . 84.2 mt -63.17 -45.53 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.7 -43.46 85.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.296 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -65.25 -41.04 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.533 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.365 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.5 -53.39 32.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -51.96 -43.24 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.94 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -56.58 -38.85 72.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.49 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' OH ' ' NH1' ' B' ' 231' ' ' ARG . 51.4 t80 -62.41 -40.48 96.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.389 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.57 -40.57 87.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.656 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mm . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -179.63 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 1.0 110.363 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -50.35 119.4 7.15 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.633 -0.987 . . . . 1.0 110.633 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -97.47 120.59 38.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 1.0 110.52 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.74 150.2 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.53 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.8 mp -94.4 130.67 40.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.15 0.5 . . . . 1.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -111.85 131.48 55.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.345 -0.843 . . . . 1.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.438 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 44.7 p-10 -103.63 114.81 29.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.718 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 75.7 mt -134.14 137.68 44.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 217' ' ' SER . . . . . 0.516 ' OG ' ' SD ' ' A' ' 9' ' ' MET . 4.9 m -57.33 152.31 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.269 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . 0.556 HD21 ' N ' ' B' ' 219' ' ' GLU . 0.3 OUTLIER -63.3 -23.72 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.552 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . 0.556 ' N ' HD21 ' B' ' 218' ' ' ASN . 99.0 mt-10 -67.46 -35.67 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.538 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.39 -43.62 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.835 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.4 mt -53.01 -38.3 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.152 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.66 -46.84 77.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.931 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.92 -44.19 97.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.369 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.72 -37.5 86.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.388 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.51 -40.86 98.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.491 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.2 mt -79.05 -28.46 43.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.918 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 232' ' ' ASN . 14.5 tm-20 -62.62 -40.6 97.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.783 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.18 -42.28 87.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.171 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.18 -47.73 71.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.879 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.437 ' NH1' ' OH ' ' A' ' 46' ' ' TYR . 99.4 mtt180 -86.84 -32.51 20.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.598 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.481 ' C ' HD12 ' B' ' 233' ' ' LEU . 47.8 t30 70.72 37.9 1.32 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.644 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.481 HD12 ' C ' ' B' ' 232' ' ' ASN . 9.0 mp -115.23 157.18 44.39 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.53 141.62 95.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.482 2.122 . . . . 1.0 111.976 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 235' ' ' ARG . 34.0 ttm105 -60.18 -43.71 95.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.36 -40.94 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.192 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -66.23 -40.74 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.204 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.03 -44.36 89.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.603 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . 0.727 HD13 HD22 ' A' ' 14' ' ' LEU . 87.8 mt -68.22 -47.56 67.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.227 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.49 -43.56 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.94 -38.36 86.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.493 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.48 79.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.181 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.3 t -67.86 -52.69 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.274 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -50.95 -41.15 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.518 . . . . 1.0 109.6 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -62.24 -40.25 95.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.829 0.347 . . . . 1.0 110.417 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -62.53 -43.74 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.556 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.87 -45.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.894 0.378 . . . . 1.0 110.319 179.489 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.9 mmm . . . . . 0 C--O 1.23 0.061 0 N-CA-C 110.077 -0.342 . . . . 1.0 110.077 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -118.24 -5.19 13.31 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' GLY . 60.9 ttp180 57.81 121.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.005 0.431 . . . . 1.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mm -131.98 143.87 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.546 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.6 mt -99.62 129.93 45.81 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.577 -0.738 . . . . 1.0 110.506 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 HD13 HD13 ' B' ' 239' ' ' LEU . 45.1 tp -125.2 133.75 52.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.75 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' B' ' 210' ' ' GLY . 64.2 t0 -111.49 113.87 26.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.996 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 mt -124.53 144.49 50.09 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -58.59 154.04 15.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.092 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -64.81 -37.58 88.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.756 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -57.29 -36.63 71.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.612 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.75 -43.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.8 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.35 -37.99 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -64.53 -39.3 93.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -65.7 -49.03 70.02 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.001 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.47 -39.67 91.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -56.33 -47.66 78.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.448 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.03 -46.35 88.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 1.0 110.564 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.65 -34.86 72.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.934 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 69.2 tt0 -66.69 -41.97 87.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.881 0.372 . . . . 1.0 110.599 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.71 -44.23 89.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -61.19 -39.24 89.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.665 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.568 HH22 ' HE2' ' A' ' 41' ' ' GLU . 81.0 mtp180 -84.14 -4.83 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 18.9 p30 43.72 43.29 4.84 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.431 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.9 mt -134.7 152.85 78.36 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.55 145.56 98.56 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.515 2.143 . . . . 1.0 112.216 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' N ' ' OE2' ' A' ' 28' ' ' GLU . 80.8 ttt180 -63.63 -42.4 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.261 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -40.83 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.248 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.29 -38.64 91.77 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' NH1' ' A' ' 31' ' ' ARG . 99.3 mt -62.44 -44.11 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD13 HD13 ' B' ' 214' ' ' LEU . 90.6 mt -64.16 -43.73 94.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.021 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -57.28 -46.33 83.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.322 0.582 . . . . 1.0 110.125 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.568 ' HE2' HH22 ' A' ' 31' ' ' ARG . 96.2 mt-10 -69.55 -40.63 76.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.234 -0.894 . . . . 1.0 110.487 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.48 -48.77 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.56 -51.52 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.059 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -52.83 -48.02 67.29 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -64.1 -37.28 86.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.968 0.413 . . . . 1.0 110.245 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -61.52 -43.2 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.324 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.38 -39.95 92.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.658 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 -179.768 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 78.1 mtp . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.649 0.262 . . . . 1.0 110.421 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 15' ' ' ASP . . . -130.32 172.3 20.34 Favored Glycine 0 N--CA 1.465 0.583 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -123.84 129.91 51.77 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.861 0.362 . . . . 1.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.56 141.07 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.257 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.495 HD12 ' N ' ' B' ' 213' ' ' LEU . 11.3 mp -100.91 128.51 46.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.405 HD13 HD13 ' A' ' 39' ' ' LEU . 35.5 tp -124.05 134.68 53.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.538 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.445 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 43.4 p-10 -104.09 110.75 23.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.617 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.561 ' O ' ' O ' ' B' ' 217' ' ' SER . 53.6 mt -115.41 136.62 52.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.646 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 217' ' ' SER . . . . . 0.561 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.2 OUTLIER -50.46 -157.5 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.949 0.781 . . . . 1.0 110.07 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -110.94 -38.52 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.847 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.97 -32.03 72.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.684 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 79.8 t -68.09 -42.94 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.807 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.18 -38.0 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -64.0 -39.47 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.35 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.81 -47.15 81.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.177 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.93 -42.54 99.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.654 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . 0.433 ' O ' HG21 ' B' ' 229' ' ' VAL . 50.2 t0 -62.17 -44.11 97.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -61.68 -44.21 97.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.605 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.3 mp -74.24 -28.75 61.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.612 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -68.7 -38.83 80.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.212 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . 0.433 HG21 ' O ' ' B' ' 225' ' ' ASP . 57.8 t -60.91 -43.99 96.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.57 -41.94 92.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 1.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.21 -30.0 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.618 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 60.59 45.34 10.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.33 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 14.8 mt -139.04 154.12 72.2 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.987 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.6 144.36 99.44 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.193 1.929 . . . . 1.0 111.968 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.2 ptt-85 -58.59 -42.34 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.386 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -50.05 -38.92 40.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.137 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -70.27 -41.14 73.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.1 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' B' ' 238' ' ' LEU . 96.4 mt -64.0 -42.53 97.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.46 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . 0.448 HD13 HD13 ' A' ' 14' ' ' LEU . 86.1 mt -63.63 -42.64 98.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.65 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.03 -42.32 98.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.262 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.29 -39.15 93.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.506 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.74 95.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.515 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.56 -52.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.638 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -53.63 -45.67 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.088 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.64 -42.59 71.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.519 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . 0.549 ' OH ' ' NH1' ' A' ' 31' ' ' ARG . 81.9 t80 -63.54 -42.59 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.041 0.448 . . . . 1.0 110.639 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.6 -38.13 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.781 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.74 -43.91 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.075 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 120.85 0.357 . . . . 1.0 110.454 179.599 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.941 0.401 . . . . 1.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.47 135.39 8.28 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.728 -0.949 . . . . 1.0 110.728 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -89.93 138.82 31.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.986 0.422 . . . . 1.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' C ' HD12 ' A' ' 13' ' ' LEU . 66.5 mt -136.34 146.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 1.0 110.26 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.519 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.8 mp -100.28 131.77 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.381 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -124.01 130.16 52.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.634 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.449 ' C ' HD23 ' A' ' 16' ' ' LEU . 83.0 m-20 -103.55 125.87 50.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.693 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 15' ' ' ASP . 4.3 mm? -108.07 -177.75 3.42 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.639 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.84 6.12 29.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 76.32 -54.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.458 0.474 . . . . 1.0 110.699 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -27.68 65.83 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.171 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.96 -41.13 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.223 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -51.68 -36.98 19.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.05 -37.38 85.7 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -63.59 -49.33 73.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.194 0.521 . . . . 1.0 109.689 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.0 mt -64.85 -34.38 78.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.76 -41.95 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.19 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -62.38 -36.77 83.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 1.0 110.309 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.92 -28.01 55.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.61 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 33' ' ' LEU . 13.6 tm-20 -67.27 -40.06 86.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.87 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.37 -49.9 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.799 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.06 -42.46 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.367 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.0 mmt-85 -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.848 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.05 43.18 30.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 14.8 mt -138.07 153.97 73.8 Favored Pre-proline 0 C--O 1.22 -0.481 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.811 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.35 149.29 82.1 Favored 'Trans proline' 0 C--N 1.301 -1.926 0 C-N-CA 122.799 2.333 . . . . 1.0 112.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.77 -48.78 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.477 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -41.84 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.395 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.03 -40.22 94.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.793 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -41.75 97.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.751 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.35 -48.41 79.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -57.95 -44.08 86.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.318 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.38 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.592 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.0 71.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.445 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.57 -53.79 40.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -51.73 -50.57 60.31 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -61.66 -41.55 97.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.575 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.85 -45.4 94.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.454 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.42 -42.15 98.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.633 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.352 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 80.1 mtp . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 120.922 0.391 . . . . 1.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -55.73 174.2 1.14 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.702 -0.959 . . . . 1.0 110.702 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -133.74 129.9 37.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.884 0.373 . . . . 1.0 110.494 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 76.1 mt -132.79 143.47 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.249 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.548 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.3 mp -93.13 132.11 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.326 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.426 HD22 HD11 ' B' ' 216' ' ' LEU . 54.7 tp -124.05 131.33 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.551 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.445 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 43.5 p-10 -114.73 111.27 21.01 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.654 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.426 HD11 HD22 ' B' ' 214' ' ' LEU . 52.0 mt -121.47 148.57 44.27 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.664 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.9 m -66.72 155.68 37.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.445 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -60.21 -40.0 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -57.75 -36.43 72.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.524 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.26 -42.27 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.88 -39.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.43 -35.82 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.41 -49.02 68.17 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.151 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.43 -39.69 94.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.486 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -52.38 -44.01 65.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.221 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.65 -40.7 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.387 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.39 -29.27 61.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.586 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' B' ' 232' ' ' ASN . 14.2 tm-20 -68.8 -41.34 78.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.762 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.38 -50.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.739 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.01 -42.21 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 26.2 mmt180 -80.59 -16.67 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' B' ' 228' ' ' GLU . 12.5 p30 43.56 51.69 6.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.586 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.7 mt -139.7 153.79 70.46 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.895 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.19 148.39 78.64 Favored 'Trans proline' 0 C--N 1.3 -1.982 0 C-N-CA 122.773 2.315 . . . . 1.0 112.279 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -60.91 -49.14 78.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.79 11.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.317 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -65.07 -39.84 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.655 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' B' ' 238' ' ' LEU . 95.6 mt -63.41 -45.42 91.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.481 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' B' ' 239' ' ' LEU . 99.4 mt -66.01 -46.67 77.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.091 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -56.71 -46.41 81.27 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.088 0.471 . . . . 1.0 110.205 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -67.25 -37.28 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.675 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.36 85.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.59 -53.37 39.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -52.34 -50.73 61.74 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.999 0.428 . . . . 1.0 109.984 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -55.92 -43.89 77.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.456 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -60.52 -41.01 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.7 mt -61.17 -42.59 98.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.78 -46.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.371 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 63.0 t30 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.306 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.1 mtp . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.13 139.21 25.62 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -84.82 139.02 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 1.0 110.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.05 134.97 53.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.23 121.95 37.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.3 tp -101.75 121.92 42.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.909 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 15' ' ' ASP . 45.8 p-10 -99.86 119.21 37.83 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.95 0.405 . . . . 1.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -151.14 147.79 27.48 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.84 0.829 . . . . 1.0 110.45 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -59.86 156.74 13.68 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.723 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -68.33 -30.05 68.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -58.76 -33.73 70.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.92 -45.11 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.683 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' ASP . 74.5 mt -52.8 -36.53 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.549 -0.538 . . . . 1.0 109.549 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.43 -44.15 95.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.778 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.58 -46.96 71.13 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.881 -0.6 . . . . 1.0 109.875 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 24' ' ' LEU . 2.1 tp -65.0 -51.27 62.62 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.784 0.802 . . . . 1.0 109.614 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ILE . 17.6 t0 -51.6 -46.17 63.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.067 -0.97 . . . . 1.0 110.259 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.554 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 31.2 t70 -60.7 -37.23 80.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.435 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.5 tp -66.74 -36.7 83.08 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 110.112 -0.329 . . . . 1.0 110.112 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 66.7 tt0 -62.55 -38.43 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.889 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.739 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -64.79 -40.69 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 1.0 110.726 -179.646 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.524 HH12 ' HH ' ' B' ' 246' ' ' TYR . 16.7 mmt85 -77.81 -9.45 59.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.602 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 4.7 p-10 44.3 42.51 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.375 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 mt -137.33 154.67 75.65 Favored Pre-proline 0 N--CA 1.463 0.215 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.589 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.67 144.31 97.89 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.391 2.061 . . . . 1.0 111.919 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.607 HH11 HD11 ' A' ' 39' ' ' LEU . 47.6 ttp85 -61.44 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.661 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.28 -40.41 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.286 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -66.5 -39.01 88.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.828 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 mt -65.37 -43.34 91.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.031 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.607 HD11 HH11 ' A' ' 35' ' ' ARG . 81.6 mt -63.34 -43.48 97.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -61.96 -43.7 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.304 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -66.29 -42.55 88.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.869 0.366 . . . . 1.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.28 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.81 -51.27 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 1.0 110.367 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -54.44 -46.68 73.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.079 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -57.42 -42.39 82.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.468 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.21 -41.85 99.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.469 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.682 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.105 -179.845 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 71.8 mtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.933 0.397 . . . . 1.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -127.62 40.17 1.8 Allowed Glycine 0 N--CA 1.462 0.376 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -40.82 154.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.782 0.325 . . . . 1.0 110.786 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.43 HG22 ' N ' ' B' ' 213' ' ' LEU . 50.8 mt -138.58 155.85 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.372 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.43 ' N ' HG22 ' B' ' 212' ' ' ILE . 7.1 mt -91.84 138.83 31.23 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 34.9 tp -138.81 142.66 38.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.178 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.489 ' C ' HD12 ' B' ' 216' ' ' LEU . 0.9 OUTLIER -116.5 125.85 52.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 1.0 110.676 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.607 ' O ' ' O ' ' B' ' 217' ' ' SER . 9.8 mp -119.36 144.96 46.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.169 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 217' ' ' SER . . . . . 0.607 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.3 OUTLIER -49.26 -154.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 124.235 0.96 . . . . 1.0 110.023 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -112.07 -40.2 4.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.502 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.71 -32.11 71.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.18 -42.97 79.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.959 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.78 -36.12 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -65.98 -41.13 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.345 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -61.97 -45.57 93.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.002 -0.544 . . . . 1.0 109.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.42 -41.61 98.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.442 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.09 -47.06 86.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.422 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.45 -45.81 92.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.914 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.12 -36.29 82.76 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 235' ' ' ARG . 66.3 tt0 -67.57 -40.12 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.77 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.13 -44.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.78 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.65 -40.64 92.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 1.0 110.744 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.474 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.1 mmm180 -68.87 -36.35 77.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.689 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.51 43.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.175 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.594 ' O ' HD12 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -149.32 158.99 37.71 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-O 120.788 0.328 . . . . 1.0 110.118 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.87 142.79 99.26 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.328 2.018 . . . . 1.0 112.009 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.525 ' N ' ' OE1' ' B' ' 228' ' ' GLU . 34.6 ptt180 -61.06 -40.97 95.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.161 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.86 -38.88 23.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.024 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -66.05 -38.33 88.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.654 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -42.23 91.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.9 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.358 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.144 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.75 -41.36 83.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.498 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.16 87.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.929 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.44 -50.72 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.383 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.59 -46.08 73.71 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.567 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -63.82 -39.92 95.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.501 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . 0.524 ' HH ' HH12 ' A' ' 31' ' ' ARG . 60.2 t80 -61.51 -42.75 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.508 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.85 -40.5 95.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.729 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.52 -44.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.021 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.518 179.679 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 ptm . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.696 0.284 . . . . 1.0 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.4 164.69 15.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 11' ' ' ARG . 46.8 ttm105 -138.94 132.96 31.18 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.167 -0.308 . . . . 1.0 110.167 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.544 HG22 ' N ' ' A' ' 13' ' ' LEU . 42.8 mm -130.66 161.04 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' N ' HG22 ' A' ' 12' ' ' ILE . 62.1 mt -108.01 140.73 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.045 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 tp -121.97 128.75 51.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.586 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -101.07 115.59 30.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.75 -179.04 4.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.211 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.5 OUTLIER -112.15 7.37 19.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.853 -179.327 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 77.81 -43.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.372 0.42 . . . . 1.0 110.11 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 17' ' ' SER . 85.5 tt0 -66.56 -31.94 72.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.364 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.45 -39.41 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.539 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.1 mt -54.98 -39.96 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -63.49 -38.91 92.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.018 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.02 -49.36 70.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.115 0.483 . . . . 1.0 109.729 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' GLU . 69.2 mt -64.14 -36.84 85.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.494 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -56.1 -43.79 78.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.416 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' HG12 ' A' ' 29' ' ' VAL . 44.1 t0 -61.73 -37.12 83.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.232 0.539 . . . . 1.0 110.29 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 mt -83.65 -27.71 28.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.079 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 33' ' ' LEU . 4.9 tm-20 -78.18 -41.02 35.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.134 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 30' ' ' GLN . 9.7 p -56.38 -48.4 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.024 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.598 ' N ' HG13 ' A' ' 29' ' ' VAL . 88.0 mt-30 -60.41 -42.04 95.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.966 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 95.6 mtt-85 -78.44 -15.55 58.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.682 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' GLU . 20.6 p30 44.03 50.26 7.3 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.379 0.424 . . . . 1.0 110.651 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.504 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 16.3 mt -137.37 154.51 75.46 Favored Pre-proline 0 N--CA 1.463 0.191 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.804 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.515 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 18.3 Cg_endo -59.32 144.71 99.31 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.395 2.064 . . . . 1.0 112.431 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.03 -40.13 96.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.484 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.0 -45.24 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.313 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -65.81 -39.49 90.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.557 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 38' ' ' LEU . 92.7 mt -65.18 -41.64 94.39 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.369 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -45.75 88.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.606 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -59.97 -42.96 95.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.139 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -63.5 -38.54 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.78 93.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.281 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.42 -52.94 45.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.008 0.432 . . . . 1.0 110.075 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -52.61 -49.62 64.73 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.853 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -60.89 -40.75 94.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -62.76 -44.13 97.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.55 -41.76 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.625 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.21 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 73.6 mmm . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 120.76 0.314 . . . . 1.0 110.173 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.24 168.1 7.11 Favored Glycine 0 C--O 1.225 -0.416 0 N-CA-C 110.393 -1.083 . . . . 1.0 110.393 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -135.19 116.59 14.64 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 110.269 -0.271 . . . . 1.0 110.269 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.1 mm -118.91 147.16 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.463 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.614 ' N ' HD12 ' B' ' 213' ' ' LEU . 9.9 mp -94.67 133.12 38.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.16 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.4 tp -117.7 127.33 53.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 215' ' ' ASP . 44.1 p-10 -94.01 118.33 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.78 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.28 -167.12 1.64 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.074 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.0 m -133.38 154.35 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.283 0.364 . . . . 1.0 110.297 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.15 -36.01 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.26 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.37 -37.79 88.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.514 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.09 -41.74 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.564 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.73 -39.09 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.04 -40.0 94.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.369 -0.378 . . . . 1.0 109.992 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.8 -49.06 77.84 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.108 0.48 . . . . 1.0 109.746 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.02 -37.4 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.589 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -59.23 -40.88 87.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.972 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.38 -39.61 93.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 1.0 110.234 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.41 -28.83 61.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.441 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.678 ' HE2' ' HA ' ' B' ' 235' ' ' ARG . 4.2 tp10 -69.21 -38.76 78.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 1.0 110.848 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 77.0 t -63.39 -51.53 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.094 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -62.02 -40.89 97.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.294 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.554 ' HB3' HD23 ' B' ' 233' ' ' LEU . 19.5 mmt180 -77.58 -28.14 51.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.69 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' B' ' 228' ' ' GLU . 17.1 t-20 52.23 53.02 13.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.424 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.767 ' O ' HD21 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -148.64 159.76 37.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.06 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.78 144.73 99.6 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.792 2.328 . . . . 1.0 112.729 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.678 ' HA ' ' HE2' ' B' ' 228' ' ' GLU . 81.1 mtp180 -62.06 -42.32 99.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.172 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.19 -40.29 15.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.96 -39.1 92.97 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.502 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.591 ' HG ' HD22 ' B' ' 233' ' ' LEU . 38.7 mt -65.68 -40.64 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.862 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.27 -47.45 85.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.88 -44.52 86.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -68.25 -38.0 81.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.53 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.08 78.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.452 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.41 -53.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.028 0.442 . . . . 1.0 110.178 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.46 -47.79 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 1.0 109.935 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -61.46 -40.38 94.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.633 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.32 -44.43 97.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.1 mt -61.1 -41.94 97.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.613 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.4 -46.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.112 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.246 -179.893 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.6 mtp . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.883 0.373 . . . . 1.0 110.443 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.24 -170.78 24.04 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -125.76 137.06 53.78 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.848 0.356 . . . . 1.0 110.21 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.3 150.79 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.157 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.597 ' C ' HD21 ' A' ' 13' ' ' LEU . 4.9 tt -107.48 115.88 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.061 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.589 ' N ' HD21 ' A' ' 13' ' ' LEU . 53.6 tp -110.53 131.0 55.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.496 ' HD2' HD22 ' A' ' 13' ' ' LEU . 72.8 m-20 -116.55 120.77 39.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.445 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.3 mt -123.88 145.74 48.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 m -60.67 152.01 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.242 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -60.54 -33.51 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.294 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.86 -36.75 70.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.23 -42.36 81.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.685 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.98 -42.22 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.8 -42.9 99.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.43 -45.67 65.41 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.74 -45.23 90.82 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 120.856 0.36 . . . . 1.0 110.123 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.46 -48.58 81.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.43 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.79 -43.94 90.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.514 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.659 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' OE2' ' O ' ' A' ' 33' ' ' LEU . 14.8 tm-20 -65.51 -40.74 93.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -72.56 -32.4 41.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.825 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -57.22 -48.46 78.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -92.24 -14.74 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.744 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.9 m120 60.15 28.45 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.661 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 5.7 mp -110.88 155.86 41.7 Favored Pre-proline 0 C--O 1.223 -0.317 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.27 147.08 94.1 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.632 2.222 . . . . 1.0 112.134 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -61.36 -42.71 99.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.732 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.19 -38.95 27.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.288 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.82 -41.69 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.422 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.71 -44.56 89.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.49 -45.05 85.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.985 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -56.32 -43.46 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.287 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.04 -38.74 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.703 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.59 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.253 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.78 -53.15 33.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.415 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.07 -45.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -61.11 -40.8 95.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.555 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -63.2 -45.03 93.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.96 -41.34 97.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.804 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.099 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 7.1 ptm . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.667 0.27 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -110.54 -177.86 20.72 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -142.12 126.81 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 1.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 212' ' ' ILE . . . . . 0.406 ' C ' HD12 ' B' ' 213' ' ' LEU . 16.8 mt -141.83 144.06 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.566 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 213' ' ' LEU . . . . . 0.553 ' C ' HD23 ' B' ' 214' ' ' LEU . 11.0 mp -101.19 126.12 47.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.957 0.408 . . . . 1.0 110.31 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 214' ' ' LEU . . . . . 0.553 HD23 ' C ' ' B' ' 213' ' ' LEU . 4.2 mm? -116.3 132.95 56.52 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.45 -0.796 . . . . 1.0 111.178 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -113.38 125.79 54.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.426 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.8 mt -134.11 144.95 48.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.715 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.4 m -56.39 150.52 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 218' ' ' ASN . . . . . 0.791 HD21 ' H ' ' B' ' 219' ' ' GLU . 0.0 OUTLIER -60.66 -29.25 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.493 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 219' ' ' GLU . . . . . 0.791 ' H ' HD21 ' B' ' 218' ' ' ASN . 80.4 mm-40 -66.0 -35.62 81.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.36 -43.52 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 62.3 mt -54.01 -37.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -65.44 -38.39 89.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.476 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.2 -47.69 76.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.218 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 225' ' ' ASP . . . . . 0.409 ' O ' HG21 ' B' ' 229' ' ' VAL . 53.2 t0 -56.01 -48.1 76.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.553 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 226' ' ' ASP . . . . . 0.546 ' O ' ' NE2' ' B' ' 230' ' ' GLN . 39.4 t0 -59.91 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.64 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.05 -33.68 75.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.121 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' B' ' 233' ' ' LEU . 70.3 tt0 -67.08 -37.71 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.729 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 229' ' ' VAL . . . . . 0.409 HG21 ' O ' ' B' ' 225' ' ' ASP . 58.9 t -65.16 -42.85 95.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 230' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 226' ' ' ASP . 0.2 OUTLIER -58.47 -47.81 82.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.91 -179.182 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -77.7 -22.92 49.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 60.84 62.64 1.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.995 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 233' ' ' LEU . . . . . 0.595 ' O ' HD12 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.34 158.61 32.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.484 -179.784 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -60.67 143.92 99.47 Favored 'Trans proline' 0 C--N 1.302 -1.903 0 C-N-CA 122.402 2.068 . . . . 1.0 111.944 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 235' ' ' ARG . . . . . 0.401 ' HG3' ' H ' ' B' ' 236' ' ' ALA . 2.5 ptp85 -62.44 -38.12 88.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.567 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.401 ' H ' ' HG3' ' B' ' 235' ' ' ARG . . . -51.12 -38.6 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.01 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -66.37 -39.29 89.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 1.0 110.488 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 38.6 mt -63.89 -41.68 97.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.754 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.89 -43.08 99.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.528 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -61.58 -42.7 99.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.76 95.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.76 97.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.458 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 82.2 t -65.73 -53.24 40.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.527 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -51.96 -47.71 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.9 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.55 -41.27 80.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.703 0.287 . . . . 1.0 110.706 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -61.82 -41.7 98.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.125 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.57 -40.69 92.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.23 -47.39 92.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 N--CA 1.451 -0.403 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.555 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.9 mtp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -87.23 94.07 9.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.609 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -69.59 -23.79 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.656 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.3 mt 50.9 99.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.458 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.64 91.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.93 141.31 15.52 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.497 -1.041 . . . . 1.0 110.497 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 pt -96.25 131.57 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.986 0.422 . . . . 1.0 110.014 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 59.08 39.5 23.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.754 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp -123.82 125.37 44.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.11 -177.35 47.56 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.497 -1.041 . . . . 1.0 110.497 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -144.86 144.5 31.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 1.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -134.11 151.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.17 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 14' ' ' LEU . 13.4 mt -92.56 145.65 24.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 mm? -126.46 132.9 51.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.141 -0.936 . . . . 1.0 111.0 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -107.58 111.54 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.49 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.7 mt -133.2 147.38 52.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.559 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -65.72 161.28 21.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.268 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.16 -38.93 90.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.51 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -56.84 -34.94 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.505 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.94 -43.21 85.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.44 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -53.86 -36.8 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.746 -0.464 . . . . 1.0 109.746 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.45 -40.11 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.98 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -63.6 -47.93 79.43 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.015 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.36 -42.29 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.79 -45.96 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.393 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -58.44 -42.95 88.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 1.0 110.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' CD1' ' CD2' ' B' ' 247' ' ' LEU . 6.8 mt -67.75 -33.9 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.665 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 32' ' ' ASN . 37.7 mt-10 -69.71 -36.08 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.745 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.3 -51.29 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.884 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' NE2' HD21 ' A' ' 27' ' ' LEU . 17.1 pt20 -62.37 -39.72 94.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.475 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 mmt-85 -85.89 -16.94 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.633 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 28' ' ' GLU . 65.8 m-20 55.49 39.83 31.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.224 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -136.07 153.71 76.99 Favored Pre-proline 0 N--CA 1.464 0.259 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.981 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.54 153.79 72.75 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.622 2.215 . . . . 1.0 112.008 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 33.9 ptt180 -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.19 -41.28 26.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.244 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.82 -38.52 89.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.586 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.65 -41.75 75.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.669 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -55.46 -43.79 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.207 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.98 -36.64 83.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.65 80.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.32 -54.54 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.369 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -50.14 -43.94 52.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.953 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.47 -38.62 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.693 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -62.67 -46.68 87.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.71 -41.91 98.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.39 -44.64 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.158 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -66.34 -40.76 90.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.592 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.498 ' OE1' ' NH2' ' B' ' 231' ' ' ARG . 89.2 mm-40 -63.96 -43.91 94.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.772 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -113.28 111.74 22.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.486 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -162.26 -43.91 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.625 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -145.84 160.18 42.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.384 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -144.75 -9.92 0.61 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.513 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -64.62 -37.06 86.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.588 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 83.5 m -61.08 -44.7 96.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.571 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 p -75.19 160.48 30.35 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.199 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 m -130.67 152.8 81.08 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.708 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -49.1 146.6 12.29 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.361 2.04 . . . . 1.0 112.162 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.0 -156.87 0.84 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.704 -0.958 . . . . 1.0 110.704 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.3 mt -97.49 121.28 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.839 0.352 . . . . 1.0 110.412 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -154.09 127.49 8.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.474 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -157.94 -23.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.528 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 65' ' ' CYS . . . 91.99 -36.09 3.78 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 64' ' ' GLY . 40.1 m 49.48 178.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 1.0 110.5 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 48.76 75.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.424 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -93.01 152.64 19.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.502 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -79.35 170.52 16.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.517 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.07 -179.77 38.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.34 -31.41 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.673 0.273 . . . . 1.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 56.95 41.28 27.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.539 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -137.47 85.1 2.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.483 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -138.69 -93.16 0.19 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' ARG . 20.5 mmm180 50.64 -128.66 2.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.608 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.3 mttp 44.79 -105.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.456 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -104.22 33.69 3.38 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.281 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 74' ' ' ARG . 75.1 ttt180 -59.75 -43.54 94.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.07 146.31 51.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 55.72 59.96 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.555 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.53 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.44 -41.34 98.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.554 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 37.9 m -155.94 156.5 34.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.468 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.492 ' C ' ' H ' ' B' ' 206' ' ' GLY . 0.4 OUTLIER -147.08 -174.85 4.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.263 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 54.6 7.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.494 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' B' ' 204' ' ' LEU . . . -73.35 168.1 53.97 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 88.2 mt -109.51 109.79 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.059 0.457 . . . . 1.0 110.384 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' B' ' 208' ' ' ASP . 57.1 t0 -171.23 30.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.541 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.6 mtp -82.26 133.41 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -67.02 142.16 41.02 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.556 -1.018 . . . . 1.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -94.64 135.19 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 1.0 110.688 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' LEU . 89.8 mt -133.35 134.61 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.278 0.561 . . . . 1.0 110.059 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.68 135.66 33.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.6 tp -119.07 127.12 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.499 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -100.28 121.72 41.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 58.3 mt -120.67 -164.82 1.14 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' SER . . . . . 0.683 ' O ' ' N ' ' B' ' 219' ' ' GLU . 2.9 m -121.97 92.6 3.77 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 119.553 -0.859 . . . . 1.0 110.48 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 217' ' ' SER . 8.7 m120 21.88 -74.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 O-C-N 125.173 1.546 . . . . 1.0 112.388 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . 0.683 ' N ' ' O ' ' B' ' 217' ' ' SER . 96.8 mt-10 -50.06 -20.04 0.88 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.487 -1.688 . . . . 1.0 109.761 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.53 -43.66 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.278 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.92 -34.65 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.81 -45.33 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.372 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -55.18 -46.52 75.82 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.837 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.12 -38.14 87.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.356 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . 0.409 ' O ' HG21 ' B' ' 229' ' ' VAL . 28.3 t70 -58.27 -43.47 87.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -60.71 -41.72 95.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.894 0.378 . . . . 1.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -69.69 -40.73 76.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.512 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . 0.53 ' O ' ' ND2' ' B' ' 232' ' ' ASN . 74.5 t -71.95 -51.88 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.859 -0.61 . . . . 1.0 111.153 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.58 -42.94 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.569 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.498 ' NH2' ' OE1' ' A' ' 50' ' ' GLN . 96.5 mtt-85 -79.44 -22.32 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' B' ' 229' ' ' VAL . 19.4 m120 61.02 61.53 1.59 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.592 ' O ' HD12 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -154.52 160.31 31.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.384 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.46 139.25 88.6 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.388 2.058 . . . . 1.0 111.943 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -63.32 -41.13 98.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.363 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.32 -39.48 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.12 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -66.17 -40.86 90.79 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.607 HD21 ' OE1' ' B' ' 241' ' ' GLU . 21.2 mt -63.31 -41.14 98.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 1.0 110.258 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . 0.593 HD13 HD22 ' A' ' 14' ' ' LEU . 92.4 mt -67.34 -45.96 74.86 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.629 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -52.89 -50.81 63.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.61 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . 0.607 ' OE1' HD21 ' B' ' 238' ' ' LEU . 3.9 pt-20 -65.66 -31.88 73.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.299 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.17 70.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.175 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.8 -51.22 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.187 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -52.79 -48.01 67.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.62 -41.33 81.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.924 0.393 . . . . 1.0 110.244 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.19 -43.66 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . 0.429 ' CD2' ' CD1' ' A' ' 27' ' ' LEU . 92.0 mt -62.14 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.801 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . 0.438 ' O ' ' OG ' ' B' ' 251' ' ' SER . 96.8 mt -61.84 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.291 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . 0.419 ' O ' ' OE1' ' B' ' 252' ' ' GLN . 59.0 t-20 -64.18 -38.48 91.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 1.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -87.42 31.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.1 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' B' ' 248' ' ' ILE . 80.4 p -129.88 45.1 2.86 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.645 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . 0.692 ' NE2' ' H ' ' B' ' 252' ' ' GLN . 2.3 pm0 -89.45 -7.09 55.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 253' ' ' THR . . . . . 0.522 ' O ' ' N ' ' B' ' 255' ' ' ARG . 43.5 p -91.19 1.97 56.7 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.375 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -54.34 83.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.456 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' B' ' 253' ' ' THR . 20.0 ptp180 -100.54 31.68 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.557 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 1.3 m 68.34 47.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.711 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 28.0 t -69.69 144.28 52.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.595 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . 0.7 HG13 ' O ' ' B' ' 258' ' ' VAL . 13.1 p -167.56 74.6 0.97 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.099 0.476 . . . . 1.0 110.388 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -59.91 141.7 97.08 Favored 'Trans proline' 0 C--N 1.302 -1.902 0 C-N-CA 122.593 2.196 . . . . 1.0 112.002 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' B' ' 262' ' ' TRP . . . -65.72 -34.86 90.04 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 21.5 tt -72.42 -16.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 1.0 110.692 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . 0.537 ' CD1' ' O ' ' B' ' 260' ' ' GLY . 86.7 m95 56.99 44.79 22.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.415 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? 63.39 111.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -152.54 -2.79 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.6 -38.21 90.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 110.68 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 267' ' ' GLU . 80.3 mm-40 -107.94 131.72 54.24 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.402 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 266' ' ' GLU . 94.7 mt-10 55.88 115.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.02 -18.59 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.498 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 82.95 72.78 1.26 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 9.0 p -133.14 138.18 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.935 0.398 . . . . 1.0 110.465 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' B' ' 271' ' ' GLU . 1.3 pm0 -151.06 143.88 24.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.135 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -94.81 108.95 20.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' B' ' 275' ' ' LYS . 99.2 mm-40 -137.32 -109.88 0.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.416 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 41.31 -89.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.612 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' B' ' 273' ' ' GLN . 98.8 mttt -75.11 -94.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 1.0 110.581 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' B' ' 277' ' ' ARG . 1.5 tp 43.8 -169.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.543 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . 0.424 ' H ' ' HG ' ' B' ' 276' ' ' LEU . 79.0 ttt-85 -145.57 139.67 26.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.422 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' B' ' 279' ' ' GLU . 29.7 tp10 -147.7 48.9 1.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.436 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . 0.516 ' O ' ' CD1' ' B' ' 280' ' ' TRP . 97.3 mt-10 55.51 159.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.047 0.451 . . . . 1.0 110.6 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' B' ' 279' ' ' GLU . 5.4 m-90 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.659 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.8 t30 56.58 37.55 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.534 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -62.33 -44.2 97.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.647 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -156.31 13.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.433 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.07 -79.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.486 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' A' ' 8' ' ' ASP . . . 65.08 -80.52 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 pt -72.12 16.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-O 120.797 0.332 . . . . 1.0 110.728 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 6' ' ' GLY . 96.7 m-20 53.6 29.59 9.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.579 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.1 mtp 43.15 -165.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.544 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.84 -177.65 22.96 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -146.1 121.09 10.03 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.086 0.47 . . . . 1.0 110.328 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.4 146.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.571 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.6 mp -98.09 122.71 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 1.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.48 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.679 ' O ' HD23 ' A' ' 16' ' ' LEU . 91.5 m-20 -105.45 112.51 25.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.652 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -131.58 144.81 51.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.824 179.481 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 m -58.01 149.47 23.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.52 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -60.56 -37.48 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.552 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -55.95 -32.31 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.474 HG22 HD12 ' A' ' 16' ' ' LEU . 77.5 t -72.29 -41.83 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -52.98 -38.79 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 109.827 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.08 -40.31 94.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.93 -46.64 80.8 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.069 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.07 -41.11 97.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.486 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.11 -50.23 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.486 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -58.92 -44.92 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.457 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.01 -34.27 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.793 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.81 -39.48 83.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.934 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -44.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.008 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -75.55 -16.79 60.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.797 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.4 m120 55.66 33.48 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.347 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.827 ' O ' HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -127.51 158.12 70.82 Favored Pre-proline 0 C--O 1.224 -0.255 0 CA-C-O 121.0 0.428 . . . . 1.0 109.922 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.79 142.03 96.53 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.835 2.357 . . . . 1.0 112.911 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.8 -42.66 98.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.506 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.92 18.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.91 -38.09 87.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.65 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' A' ' 33' ' ' LEU . 10.9 mt -66.07 -43.05 88.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.81 -45.67 88.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.556 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -59.25 -43.65 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.68 -42.34 98.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.767 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.86 82.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.0 t -71.25 -52.44 26.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.6 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -53.54 -46.03 70.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -55.05 -42.04 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.933 ' HH ' HH22 ' B' ' 231' ' ' ARG . 30.5 t80 -64.07 -41.48 97.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.411 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' HA ' HD21 ' A' ' 47' ' ' LEU . 90.2 mt -62.49 -38.12 88.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.794 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.76 -43.79 96.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.897 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.553 ' C ' ' H ' ' A' ' 51' ' ' SER . 41.9 t30 -64.64 -53.59 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.85 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -73.54 20.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.983 0.421 . . . . 1.0 110.582 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.553 ' H ' ' C ' ' A' ' 49' ' ' ASN . 24.2 p -87.41 -8.3 56.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -71.73 135.55 46.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.4 p 45.36 74.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.471 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.2 113.97 25.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.443 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.452 ' NH2' ' OE1' ' B' ' 230' ' ' GLN . 90.6 mtm180 -64.14 -37.77 88.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.614 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 55' ' ' ARG . 18.9 p 49.29 85.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.486 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 m -68.49 147.03 52.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.63 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 m -49.39 151.67 2.59 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.667 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -45.16 156.32 0.3 Allowed 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.65 2.234 . . . . 1.0 112.274 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.28 103.2 0.24 Allowed Glycine 0 CA--C 1.519 0.32 0 N-CA-C 110.777 -0.929 . . . . 1.0 110.777 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mm -106.58 128.01 61.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.996 0.427 . . . . 1.0 110.578 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -153.57 37.47 0.47 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.489 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -71.06 133.29 46.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.568 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.6 93.37 0.09 OUTLIER Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 t -150.66 106.34 3.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.793 0.33 . . . . 1.0 110.465 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.595 ' H ' ' CD ' ' A' ' 66' ' ' GLU . 2.2 pm0 -50.48 150.45 2.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.572 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -151.85 -20.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.41 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.76 133.35 53.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.8 121.48 0.75 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.96 161.94 35.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 1.0 110.595 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -152.69 118.41 5.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.408 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -99.83 135.32 41.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.409 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -79.04 -56.01 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.718 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 51.11 66.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.621 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -68.53 135.2 51.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.518 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 76' ' ' LEU . 3.7 mm? -81.45 133.13 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.786 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.432 ' HE ' ' H ' ' A' ' 78' ' ' GLU . 7.7 tpm_? -98.57 130.23 45.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.61 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 78' ' ' GLU . 55.5 mp0 -74.26 144.98 44.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.548 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -115.49 -172.7 2.2 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.991 0.424 . . . . 1.0 110.487 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.628 -179.851 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 12.3 m120 45.52 -161.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.524 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 71.9 m 56.05 84.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.675 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.558 HD23 ' N ' ' B' ' 204' ' ' LEU . 3.7 mm? -89.06 2.61 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.671 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 59.1 -173.43 0.1 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.558 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 65.05 36.08 92.59 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 17.7 mm -54.98 97.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.978 0.418 . . . . 1.0 110.507 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.451 ' OD2' ' O ' ' B' ' 208' ' ' ASP . 67.4 t0 -148.19 41.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.1 mtp -68.15 -173.06 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -121.53 176.77 16.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -135.74 127.31 28.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.956 0.408 . . . . 1.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 77.7 mt -134.12 147.44 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.489 ' N ' HD12 ' B' ' 213' ' ' LEU . 11.2 mp -100.71 133.09 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 1.0 110.347 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.76 HD21 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -133.15 140.49 47.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.563 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.76 ' H ' HD21 ' B' ' 214' ' ' LEU . 41.1 p-10 -117.19 120.13 37.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.627 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 66.4 mt -123.73 148.26 46.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.66 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.6 m -59.36 150.93 24.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.457 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -61.41 -37.96 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.531 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -56.89 -35.45 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.635 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.02 -43.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.5 mt -55.14 -38.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.65 -37.88 87.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.366 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.6 -47.36 75.97 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.973 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.44 88.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.555 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -54.43 -45.23 72.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.594 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.64 -46.66 88.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . 0.452 ' N ' HD12 ' B' ' 227' ' ' LEU . 11.1 mp -67.49 -29.21 68.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.976 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' B' ' 232' ' ' ASN . 25.9 tt0 -68.98 -42.68 76.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.113 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 76.3 t -65.9 -42.47 92.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.021 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . 0.452 ' OE1' ' NH2' ' A' ' 55' ' ' ARG . 52.4 mt-30 -56.82 -47.41 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.875 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.933 HH22 ' HH ' ' A' ' 46' ' ' TYR . 92.4 mtt180 -86.15 -23.59 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.668 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' B' ' 228' ' ' GLU . 64.6 t30 61.83 60.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.549 ' O ' HD12 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -146.05 158.65 48.15 Favored Pre-proline 0 C--O 1.223 -0.324 0 CA-C-O 121.148 0.499 . . . . 1.0 110.582 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.94 141.72 97.07 Favored 'Trans proline' 0 C--N 1.3 -2.024 0 C-N-CA 122.74 2.293 . . . . 1.0 112.193 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -60.92 -42.1 97.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.47 -37.24 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.467 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.72 -39.14 80.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.574 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' B' ' 238' ' ' LEU . 83.6 mt -63.83 -41.79 97.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.599 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.39 -43.23 99.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.67 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.44 -42.76 96.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.196 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.11 -45.81 91.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.706 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.96 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.556 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.33 -51.92 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.635 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -53.94 -49.33 68.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.209 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -55.58 -41.03 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -63.97 -43.73 94.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.55 -33.66 74.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . 0.459 ' CD1' HE21 ' B' ' 252' ' ' GLN . 5.5 mm -61.46 -43.5 96.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.572 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . 0.621 ' C ' ' H ' ' B' ' 251' ' ' SER . 63.6 t30 -64.08 -30.71 71.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.25 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' B' ' 251' ' ' SER . 94.8 mm-40 -69.46 27.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.571 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.621 ' H ' ' C ' ' B' ' 249' ' ' ASN . 1.7 p 76.12 7.53 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.616 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . 0.459 HE21 ' CD1' ' B' ' 248' ' ' ILE . 50.1 tt0 45.29 86.42 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.658 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 69.3 p -75.81 162.0 28.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.445 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -160.69 126.73 3.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.593 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 52.45 55.01 9.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.446 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 21.8 m -61.94 -44.85 95.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.625 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 89.6 p -159.25 156.21 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.578 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.98 150.63 43.97 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -43.8 133.56 7.9 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.627 2.218 . . . . 1.0 112.119 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -87.12 177.89 47.84 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 21.3 pt -117.37 141.25 36.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.969 0.414 . . . . 1.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -130.96 139.34 50.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.014 0.435 . . . . 1.0 110.552 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . 0.566 ' H ' ' CD ' ' B' ' 263' ' ' GLN . 0.3 OUTLIER -93.28 47.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.336 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -70.04 165.22 51.28 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 5.8 p -138.69 16.27 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.71 0.29 . . . . 1.0 110.508 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -65.34 134.99 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.423 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -155.58 -44.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.563 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 46.8 t0 43.59 77.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.596 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -154.52 75.44 0.23 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 270' ' ' VAL . 8.4 p -150.9 -5.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.39 . . . . 1.0 110.677 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -51.25 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.519 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -156.62 163.31 39.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.683 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . 0.566 ' CD ' ' H ' ' B' ' 273' ' ' GLN . 1.6 pm0 -99.5 154.09 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.33 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . 0.467 ' CD ' ' N ' ' B' ' 274' ' ' ARG . 11.1 mpt_? -68.58 140.44 55.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.502 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -95.46 102.88 14.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.557 HD23 ' N ' ' B' ' 276' ' ' LEU . 4.0 mm? -64.51 -39.86 94.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.717 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 62.5 83.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.522 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 280' ' ' TRP . 78.8 mt-10 -63.56 -27.85 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.541 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 58.06 -79.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.448 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . 0.51 ' N ' ' O ' ' B' ' 278' ' ' GLU . 88.8 t90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 55.8 46.14 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.617 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m 55.16 88.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.482 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.0 tp -83.75 129.18 34.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.37 121.57 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.477 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.68 -174.21 39.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.688 -0.965 . . . . 1.0 110.688 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.93 115.65 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 120.959 0.409 . . . . 1.0 110.026 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.5 t0 59.84 47.35 10.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.544 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.3 mtp -60.68 170.1 1.58 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.422 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.98 173.53 16.77 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' HD2' HD12 ' B' ' 213' ' ' LEU . 58.9 ttp180 -147.84 137.62 22.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 1.0 110.517 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.572 HD13 ' CD1' ' B' ' 216' ' ' LEU . 55.1 mt -138.52 149.61 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.11 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.622 HD21 ' N ' ' A' ' 14' ' ' LEU . 1.2 tt -93.46 120.1 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 1.0 109.823 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.622 ' N ' HD21 ' A' ' 13' ' ' LEU . 42.5 tp -114.12 130.47 56.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 45.9 p-10 -115.26 128.13 55.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.433 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.71 144.89 50.6 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.646 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -66.04 160.3 24.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.374 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -60.86 -37.46 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.369 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -60.26 -36.33 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.535 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.62 -43.32 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.4 mt -54.05 -38.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -64.58 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.123 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.97 -48.96 69.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.73 -40.85 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.554 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -55.8 -43.42 76.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.62 -41.93 95.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 1.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.87 -32.74 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 39.4 mt-10 -69.92 -39.93 75.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.693 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.48 -50.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.739 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -52.54 -48.9 65.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.443 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -89.12 -12.6 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 28' ' ' GLU . 40.3 m-80 58.99 30.84 20.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.442 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.29 157.42 41.15 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.406 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.47 156.27 61.84 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.627 2.218 . . . . 1.0 111.714 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 30.1 ptt180 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.498 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.02 -40.96 24.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.183 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -65.77 -38.89 90.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.126 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.407 ' HA ' HD21 ' A' ' 38' ' ' LEU . 96.5 mt -65.32 -40.98 94.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.586 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.59 -46.61 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.636 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -60.22 -43.75 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.378 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.08 -42.86 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.54 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.11 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.113 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -68.33 -51.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.1 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -53.74 -48.17 69.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.11 -40.18 92.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.391 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.99 -41.57 96.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 52' ' ' GLN . 93.0 mt -61.28 -45.43 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.059 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -65.5 -41.08 93.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.794 0.331 . . . . 1.0 110.573 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.45 -44.44 87.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.775 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 53' ' ' THR . 68.2 m -78.29 -53.47 7.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.701 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' ILE . 53.1 tt0 54.03 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.543 ' N ' ' O ' ' A' ' 51' ' ' SER . 7.3 t -147.65 44.24 1.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.524 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.33 20.91 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.671 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 53.61 58.19 5.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.561 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.5 p -119.87 11.71 11.9 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -59.56 -43.29 93.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.472 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 m -80.51 149.39 68.26 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.559 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.43 147.55 71.47 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.713 2.275 . . . . 1.0 112.083 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.58 126.4 0.07 OUTLIER Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 pt -106.12 89.31 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.963 0.411 . . . . 1.0 110.487 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -147.77 155.23 41.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.444 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -144.15 82.6 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.88 -37.61 94.9 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' GLU . 1.1 t -58.08 -37.86 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 1.0 110.552 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 65' ' ' CYS . 84.3 tt0 51.62 101.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.429 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 52.83 -169.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.641 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -71.81 138.07 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.543 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.17 161.52 29.96 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.874 -0.89 . . . . 1.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.54 161.08 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.775 0.322 . . . . 1.0 110.446 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.21 98.69 7.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -61.77 -43.85 98.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -75.92 134.98 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -96.14 135.94 37.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.478 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -93.66 -3.84 51.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.627 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.56 135.25 49.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.383 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -152.25 134.74 15.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.755 ' HE2' ' C ' ' A' ' 80' ' ' TRP . 12.1 tm-20 -151.99 -51.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.552 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' C ' ' HE2' ' B' ' 278' ' ' GLU . 99.2 mt-10 51.84 82.87 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.664 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.755 ' C ' ' HE2' ' A' ' 78' ' ' GLU . 89.7 t90 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -86.2 106.84 17.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.586 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 85.9 p -163.03 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.684 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.533 ' N ' HD12 ' B' ' 204' ' ' LEU . 10.1 mp -63.13 -41.98 99.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.477 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -160.96 147.06 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -112.4 164.44 12.08 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.756 -0.938 . . . . 1.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 4.6 pt -93.8 93.56 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 1.0 110.437 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 51.1 37.39 17.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.515 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.3 mtp -97.95 121.3 39.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -68.01 140.19 35.72 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.687 -0.965 . . . . 1.0 110.687 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -97.04 134.16 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 1.0 110.443 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 6.8 mm -132.75 139.82 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.559 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.588 HD23 ' N ' ' B' ' 213' ' ' LEU . 4.0 mm? -90.52 128.46 36.56 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.352 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 44.1 tp -112.73 127.01 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 47.7 p-10 -99.91 132.69 45.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.463 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.572 ' CD1' HD13 ' A' ' 12' ' ' ILE . 13.6 mt -134.78 -166.11 1.77 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.512 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 153.36 51.59 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -56.09 -39.42 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.34 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.88 -39.42 94.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.788 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 1.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.4 mt -53.02 -39.1 31.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.938 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.28 -39.57 92.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.16 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.02 -49.05 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.054 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . 0.699 ' HB3' ' HE2' ' B' ' 228' ' ' GLU . 61.2 mt -60.93 -42.82 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.709 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -50.87 -42.76 59.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.271 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.17 -42.34 90.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 1.0 110.04 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . 0.405 ' N ' HD12 ' B' ' 227' ' ' LEU . 7.9 mp -67.17 -34.59 77.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.396 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.699 ' HE2' ' HB3' ' B' ' 224' ' ' LEU . 1.3 mp0 -68.38 -36.05 78.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.929 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.81 -51.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.606 -0.438 . . . . 1.0 111.147 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.507 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -85.28 -17.93 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.723 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' B' ' 228' ' ' GLU . 55.7 t-20 51.69 45.87 27.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.199 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.0 mt -138.79 153.2 71.85 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.895 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 153.04 76.66 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.614 2.209 . . . . 1.0 111.985 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.468 ' NH1' HD12 ' A' ' 12' ' ' ILE . 89.7 mtm180 -61.97 -44.94 95.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.542 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.16 -42.73 20.2 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.249 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.63 -39.79 91.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 1.0 110.488 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.472 ' CD1' ' OE1' ' B' ' 228' ' ' GLU . 56.8 mt -67.49 -40.64 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.93 -45.77 93.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.54 -43.06 79.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.079 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 245' ' ' GLN . 95.8 mt-10 -67.53 -37.41 82.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.605 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.61 74.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.81 -52.59 52.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.413 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.8 -50.04 57.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.948 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' B' ' 241' ' ' GLU . 1.2 mp0 -60.57 -41.27 94.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.178 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.1 -46.08 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.468 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.538 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.82 -46.53 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.279 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -63.37 -41.57 98.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 1.0 110.353 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -62.86 -43.49 98.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 33.4 t -142.29 77.43 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.565 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' B' ' 253' ' ' THR . 13.5 pt20 -74.44 -36.51 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.655 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 253' ' ' THR . . . . . 0.423 ' O ' ' O ' ' B' ' 252' ' ' GLN . 65.8 p 47.65 98.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.58 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -158.71 -54.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 44.52 89.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.61 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 96.6 m 53.87 92.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.529 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 9.8 m -159.03 -156.04 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 4.8 t -142.23 71.35 22.43 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.455 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.74 -37.37 75.69 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.698 2.266 . . . . 1.0 111.998 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 88.86 111.06 1.17 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 18.9 mm -92.91 127.52 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 1.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -43.06 116.08 0.85 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.515 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 22.9 tm0? -63.52 -40.79 97.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.529 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 172.64 -173.2 45.39 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' B' ' 265' ' ' CYS . 18.6 t -76.58 69.64 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.778 0.323 . . . . 1.0 110.531 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -65.49 -39.33 91.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.326 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 42.0 74.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 51.1 t0 42.05 85.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.645 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -60.52 129.31 46.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.77 -0.932 . . . . 1.0 110.77 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 12.9 p -146.56 148.62 16.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.609 0.242 . . . . 1.0 110.528 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -141.39 156.81 45.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 1.0 110.369 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -71.3 135.26 47.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.451 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -66.89 -35.37 79.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.578 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -64.06 127.23 30.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.549 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -164.97 103.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 64.1 mt -108.45 129.03 55.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.861 0.362 . . . . 1.0 110.358 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -79.62 44.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.631 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 80' ' ' TRP . 43.9 tt0 57.26 78.75 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' B' ' 278' ' ' GLU . 98.2 mt-10 56.7 153.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.951 0.405 . . . . 1.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.425 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -62.26 -42.22 99.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.556 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 58.51 91.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.718 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.86 -42.65 99.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.714 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.96 -173.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.552 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.11 18.62 60.61 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.014 -0.834 . . . . 1.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.8 mt -88.05 105.33 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.026 0.441 . . . . 1.0 110.006 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 36.8 p-10 -86.54 8.2 23.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.706 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.6 mtp -111.76 -176.65 2.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.52 139.08 10.34 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -97.68 138.34 35.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.842 0.353 . . . . 1.0 110.417 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -130.79 146.5 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 13' ' ' LEU . 11.2 mp -102.04 126.37 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.386 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 14' ' ' LEU . 42.6 tp -124.09 134.64 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.566 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' C ' HD23 ' A' ' 16' ' ' LEU . 45.9 p-10 -96.08 122.47 38.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 15' ' ' ASP . 4.2 mm? -109.33 -173.26 2.22 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.69 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -128.72 145.37 51.19 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -53.26 -38.49 63.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.38 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -67.26 -41.24 85.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.547 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.0 -44.31 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.649 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.8 mt -52.89 -38.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.23 -38.74 91.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 1.0 110.417 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.22 -48.22 71.3 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.187 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.55 -42.73 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' O ' HG21 ' A' ' 29' ' ' VAL . 51.8 t0 -56.82 -46.2 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.481 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.07 -47.58 85.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.65 -30.61 67.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.809 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 78.0 tt0 -70.53 -41.09 73.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.411 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 25' ' ' ASP . 65.0 t -65.11 -43.29 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.604 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.73 -40.31 92.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.712 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 58.45 38.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.52 153.83 72.88 Favored Pre-proline 0 C--O 1.226 -0.182 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.717 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.79 146.05 96.83 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.65 2.233 . . . . 1.0 112.071 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.556 HH22 HD13 ' B' ' 212' ' ' ILE . 59.9 ttp180 -60.33 -43.55 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.66 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.62 -40.32 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.396 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -66.4 -39.2 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.498 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.14 -41.36 94.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.843 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.51 -44.32 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.725 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.68 -42.64 97.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.434 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.97 -37.91 87.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.496 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.99 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.55 -52.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.22 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -53.51 -48.97 68.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.1 -40.07 92.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.497 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.862 ' HH ' ' NH1' ' B' ' 231' ' ' ARG . 89.5 t80 -61.42 -42.34 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.7 -42.92 94.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.4 -47.07 88.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 1.0 110.173 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -65.06 -33.43 76.03 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.319 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.605 ' NE2' HH21 ' B' ' 231' ' ' ARG . 2.5 tp-100 -64.45 -40.6 96.02 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 120.902 -0.319 . . . . 1.0 110.535 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 52' ' ' GLN . 46.8 t -74.33 170.92 14.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 51' ' ' SER . 5.7 tp-100 56.0 113.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.287 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m 66.99 -64.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.507 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . 62.68 111.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.506 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -140.74 101.41 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.376 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.3 m -128.64 111.31 13.05 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.519 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.2 p -82.27 161.04 22.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.461 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.39 151.66 37.12 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.707 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.53 148.9 87.98 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.756 2.304 . . . . 1.0 112.048 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.55 95.23 0.46 Allowed Glycine 0 N--CA 1.463 0.482 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 61' ' ' ILE . 20.4 tt -138.03 132.05 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.919 0.39 . . . . 1.0 110.468 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -158.65 134.46 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.517 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 1.1 pm0 -142.98 117.64 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.386 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' CYS . . . -65.55 -39.39 95.52 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.204 -0.758 . . . . 1.0 111.204 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 64' ' ' GLY . 55.7 m 54.62 165.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 1.0 110.516 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -156.73 157.71 35.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.482 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -143.93 137.9 28.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.397 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -153.51 89.01 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.53 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.78 59.68 0.48 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.24 -25.31 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 1.0 110.657 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 59.28 89.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.47 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -104.32 136.11 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.029 0.442 . . . . 1.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' A' ' 74' ' ' ARG . 79.4 mt-30 -137.16 164.73 27.77 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.335 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 73' ' ' GLN . 79.7 mtp85 58.21 139.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.631 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 76' ' ' LEU . 62.0 pttt -107.71 -3.88 18.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.673 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 75' ' ' LYS . 66.5 mt 53.43 107.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.503 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -153.24 69.03 0.81 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.453 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -91.9 -9.12 44.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.608 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -114.47 136.94 52.46 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.982 0.42 . . . . 1.0 110.523 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.469 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 77.9 mtp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -97.98 7.06 46.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 86.3 p -65.76 157.78 29.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 63.3 mt -91.36 125.7 36.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.434 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -72.51 142.4 48.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.503 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 165.93 134.6 1.7 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.769 -0.932 . . . . 1.0 110.769 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . 0.424 HG22 ' H ' ' B' ' 209' ' ' MET . 88.7 mt -110.87 116.71 53.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.976 0.417 . . . . 1.0 110.281 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 208' ' ' ASP . 66.0 t0 -107.15 36.92 2.51 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.442 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' MET . . . . . 0.424 ' H ' HG22 ' B' ' 207' ' ' ILE . 81.9 mmm -106.19 123.34 47.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.309 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -71.13 -176.17 22.83 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -126.91 123.04 36.29 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.666 0.269 . . . . 1.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.556 HD13 HH22 ' A' ' 35' ' ' ARG . 43.4 mm -117.68 151.1 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.67 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 6.6 tp -107.52 124.46 49.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.7 tp -117.69 131.95 56.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -112.13 123.18 49.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.612 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 57.0 mt -133.85 145.42 49.67 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.754 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.1 m -58.32 152.87 16.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.477 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -60.46 -29.33 68.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.07 -36.87 84.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.88 -42.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.504 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.6 mt -54.64 -37.62 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.975 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -65.6 -36.62 84.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.152 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -66.52 -47.14 73.86 Favored 'General case' 0 CA--C 1.527 0.059 0 CA-C-O 121.145 0.497 . . . . 1.0 109.919 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.19 -41.72 94.3 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.625 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -59.06 -46.29 88.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.532 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -61.63 -40.42 94.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.461 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.73 -27.46 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.741 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.22 -42.35 75.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.903 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.72 -43.84 95.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.466 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.73 -40.15 94.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.668 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.862 ' NH1' ' HH ' ' A' ' 46' ' ' TYR . 99.6 mtt180 -82.46 -20.77 36.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 36.2 m120 55.69 40.5 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.8 mt -132.89 152.9 80.66 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.936 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.89 142.15 93.08 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.662 2.241 . . . . 1.0 112.308 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -61.65 -41.96 98.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.654 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -49.44 -41.55 40.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.392 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' B' ' 237' ' ' ASP . 65.4 t0 -68.06 -39.2 83.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.552 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.706 HD23 HH11 ' B' ' 231' ' ' ARG . 88.7 mt -65.36 -42.98 92.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.453 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.12 -41.84 99.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.66 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . 0.481 ' NH2' ' HD2' ' A' ' 15' ' ' ASP . 43.9 ttm180 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 -37.93 78.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.548 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.63 97.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.124 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.2 -54.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.23 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -52.26 -47.57 65.72 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.162 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -63.81 -40.81 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.788 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . 0.478 ' CE2' ' CD ' ' B' ' 250' ' ' GLN . 41.3 t80 -59.68 -43.78 93.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.64 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.84 -39.7 92.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.003 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.76 -45.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -65.36 -41.1 94.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 1.0 110.469 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . 0.478 ' CD ' ' CE2' ' B' ' 246' ' ' TYR . 77.2 mt-30 -63.49 -43.04 98.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.743 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 55.1 m -81.27 -174.19 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' B' ' 254' ' ' ALA . 77.3 mt-30 49.39 -178.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.43 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 3.7 m 61.37 -71.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.673 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 252' ' ' GLN . . . 54.28 101.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.418 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.59 ' C ' ' H ' ' B' ' 257' ' ' SER . 99.8 mtt180 -93.18 99.28 11.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.575 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 256' ' ' THR . . . . . 0.586 ' C ' ' H ' ' B' ' 258' ' ' VAL . 2.5 m 68.65 -17.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.668 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 257' ' ' SER . . . . . 0.59 ' H ' ' C ' ' B' ' 255' ' ' ARG . 3.9 t 64.95 -8.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.677 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . 0.713 HG13 ' O ' ' B' ' 258' ' ' VAL . 10.7 p -173.29 77.41 0.4 Allowed Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.178 0.513 . . . . 1.0 110.277 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.33 -37.31 71.16 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.652 2.235 . . . . 1.0 112.016 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 86.63 91.81 0.93 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.31 -43.47 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.737 0.303 . . . . 1.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -71.66 140.08 49.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.38 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -144.76 -54.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.552 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -79.65 168.98 53.08 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 8.9 m -134.83 132.63 38.87 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.885 0.374 . . . . 1.0 110.462 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -78.38 123.4 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.473 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -92.66 118.74 31.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -82.83 167.96 17.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -171.1 75.39 0.1 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . 0.568 HG21 ' H ' ' B' ' 271' ' ' GLU . 0.9 OUTLIER -60.56 -99.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.675 0.274 . . . . 1.0 110.477 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . 0.568 ' H ' HG21 ' B' ' 270' ' ' VAL . 72.9 mm-40 55.32 91.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.421 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -78.42 139.44 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.607 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -79.86 120.91 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.452 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -142.02 24.5 1.99 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.627 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -66.97 135.53 53.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.264 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' B' ' 278' ' ' GLU . 15.3 tp -141.83 89.28 2.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.697 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 41.06 -89.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.718 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' B' ' 276' ' ' LEU . 80.6 mm-40 -63.81 139.07 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.544 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.38 -31.66 72.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.602 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.5 mpt? . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m120 56.08 32.29 19.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -158.69 149.24 19.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.536 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.452 ' H ' HD21 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -87.23 136.73 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 1.0 110.272 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.9 89.73 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.637 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' A' ' 8' ' ' ASP . . . -154.28 30.63 0.71 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 7' ' ' ILE . 95.9 mt -63.63 3.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 1.0 110.633 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 6' ' ' GLY . 34.3 t0 60.01 26.32 15.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.351 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.7 mtp -140.15 125.81 19.26 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.523 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 142.86 48.44 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -99.87 117.81 34.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.041 0.448 . . . . 1.0 110.14 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -115.75 140.14 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-O 121.065 0.459 . . . . 1.0 110.594 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 13' ' ' LEU . 11.3 mp -98.64 125.89 44.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.032 0.444 . . . . 1.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -124.87 137.01 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.347 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 30.9 p-10 -125.99 136.07 52.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp -135.71 154.64 51.2 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -60.06 149.45 32.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.361 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -56.26 -39.62 72.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.383 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.65 -37.3 75.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.581 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.2 -43.95 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.575 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.28 -38.62 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.592 -0.521 . . . . 1.0 109.592 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.14 -37.48 87.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.476 ' O ' HD13 ' A' ' 27' ' ' LEU . 86.1 mt-30 -66.55 -46.95 74.42 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.73 -41.73 99.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.66 -47.66 84.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.94 -44.84 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 23' ' ' GLN . 6.7 mp -69.31 -30.95 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.863 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -67.55 -42.21 83.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.64 -43.34 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.626 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.95 -43.24 96.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.965 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HB2' HD11 ' A' ' 33' ' ' LEU . 30.9 mmt180 -69.35 -37.15 77.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' ARG . 2.7 m120 75.19 51.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.635 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -156.2 158.0 31.39 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.18 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 145.84 93.46 Favored 'Trans proline' 0 C--N 1.299 -2.061 0 C-N-CA 122.51 2.14 . . . . 1.0 112.295 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 35.1 ptt180 -61.18 -41.71 97.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.419 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.24 -40.21 33.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.164 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.68 -38.04 89.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.287 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.98 -41.88 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.017 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.82 -45.23 90.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.877 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.32 -43.01 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.34 -42.97 95.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.814 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.69 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.498 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -69.16 -52.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.577 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -55.77 -48.17 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 1.0 109.937 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -56.04 -40.94 74.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.729 0.3 . . . . 1.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.62 -39.09 90.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.721 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.74 -40.11 91.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.59 -46.85 94.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.321 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.546 ' C ' ' H ' ' A' ' 51' ' ' SER . 40.7 t30 -64.83 -52.17 58.17 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.643 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.512 ' OE1' HD23 ' B' ' 227' ' ' LEU . 3.7 pp0? -74.4 22.27 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.983 0.421 . . . . 1.0 110.546 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.546 ' H ' ' C ' ' A' ' 49' ' ' ASN . 27.4 p -89.68 -16.76 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.462 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -138.62 136.63 36.14 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.069 0.461 . . . . 1.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 p -100.77 114.18 27.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.413 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 55' ' ' ARG . . . -163.94 158.47 19.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.629 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' ALA . 82.9 mtp180 45.41 95.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.437 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.3 p -79.8 130.38 35.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.512 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.9 t -98.16 179.0 4.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 1.0 110.448 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.1 m -135.82 58.28 22.99 Favored Pre-proline 0 N--CA 1.462 0.163 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.5 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.72 -16.44 37.7 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.918 2.412 . . . . 1.0 112.162 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.36 146.44 49.56 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 110.667 -0.973 . . . . 1.0 110.667 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.5 mt -106.18 124.89 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 121.005 0.431 . . . . 1.0 110.309 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -86.48 -51.33 6.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -61.72 136.0 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.131 0.491 . . . . 1.0 110.703 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.15 162.89 21.0 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.7 t -84.71 125.36 32.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 67' ' ' GLU . 1.9 pp20? -71.47 138.45 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.539 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 72.4 mm-40 -68.45 130.48 43.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.522 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -71.74 -5.61 35.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.657 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.85 151.21 21.04 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' GLU . 10.3 p -150.95 -14.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.738 0.304 . . . . 1.0 110.632 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 70' ' ' VAL . 44.2 tt0 56.71 111.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -82.24 161.49 22.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.588 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 73' ' ' GLN . 1.7 mp0 -66.35 -29.63 69.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.616 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 57.2 76.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.098 0.475 . . . . 1.0 110.4 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -95.44 117.45 30.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.74 ' N ' HD21 ' A' ' 76' ' ' LEU . 1.3 pt? -164.44 146.5 8.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.524 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 77' ' ' ARG . 1.2 mmp_? -76.49 -77.04 0.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.179 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -172.79 94.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.513 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 54.04 88.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.47 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.512 179.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 95.9 mtp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -79.99 -100.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 1.0 110.64 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 89.8 p -150.86 127.62 10.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.723 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.13 142.25 36.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.307 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -97.67 110.59 23.13 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.037 0.446 . . . . 1.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 130.73 38.14 0.3 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 4.7 pt -87.65 94.1 4.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.976 0.417 . . . . 1.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' B' ' 209' ' ' MET . 63.8 t0 -113.19 33.46 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' MET . . . . . 0.44 ' O ' ' O ' ' B' ' 208' ' ' ASP . 73.0 mtp 52.18 170.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 1.0 110.492 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -107.57 -165.34 21.77 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -155.04 124.33 6.34 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.029 0.442 . . . . 1.0 110.369 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.434 ' C ' HD23 ' B' ' 213' ' ' LEU . 57.5 mt -138.03 145.8 28.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.077 0.465 . . . . 1.0 110.505 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.497 HD23 ' N ' ' B' ' 213' ' ' LEU . 4.1 mm? -98.83 118.48 35.66 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.963 0.411 . . . . 1.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' B' ' 214' ' ' LEU . 34.8 tp -114.25 130.01 56.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.494 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -105.79 122.04 45.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.917 0.389 . . . . 1.0 110.705 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.7 mt -130.73 137.43 49.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 6.1 m -58.44 158.03 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -61.31 -38.63 87.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.66 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -59.01 -39.13 80.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.769 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.7 -44.41 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.12 -36.45 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.787 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.77 -36.81 84.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.33 -48.49 67.39 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.92 -42.31 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -57.66 -43.01 84.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.734 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.65 -41.32 94.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.55 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . 0.512 HD23 ' OE1' ' A' ' 50' ' ' GLN . 49.4 mt -73.08 -29.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.839 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.43 -46.29 73.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 94.5 t -68.26 -42.41 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.08 -32.14 6.42 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 14.9 mmm180 -102.99 -88.93 0.39 Allowed 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.404 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 231' ' ' ARG . 6.5 m-20 165.8 19.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 56.0 mt -127.31 147.59 62.73 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.79 0.329 . . . . 1.0 110.981 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.85 170.5 18.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.817 2.345 . . . . 1.0 111.83 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -63.98 -42.24 97.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.336 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.09 -38.98 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.182 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -72.51 -40.3 66.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.933 0.397 . . . . 1.0 110.782 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -37.19 81.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.371 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' B' ' 239' ' ' LEU . 85.3 mt -61.06 -41.86 97.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.61 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.91 -43.6 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.27 -42.0 76.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.26 86.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.985 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.17 -51.57 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.828 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.65 -46.43 70.55 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -63.76 -40.1 95.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.388 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.36 -42.86 99.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' B' ' 247' ' ' LEU . 94.6 mt -59.92 -43.71 94.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.304 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.18 -44.57 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -63.41 -27.42 69.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.018 -0.364 . . . . 1.0 110.018 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -82.45 -41.27 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.45 ' C ' ' H ' ' B' ' 253' ' ' THR . 34.6 m -70.26 -40.21 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.719 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 54.79 10.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.552 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 253' ' ' THR . . . . . 0.45 ' H ' ' C ' ' B' ' 251' ' ' SER . 14.8 t -147.95 163.03 38.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.588 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 52.69 70.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.515 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.453 ' O ' ' OG1' ' B' ' 256' ' ' THR . 41.0 ttm180 -95.81 110.46 22.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.235 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 256' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' B' ' 255' ' ' ARG . 19.6 m -168.24 67.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.554 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 83.5 p -77.49 164.37 25.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.9 m -148.32 72.81 10.96 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.486 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -61.39 145.92 97.71 Favored 'Trans proline' 0 C--N 1.298 -2.109 0 C-N-CA 122.8 2.333 . . . . 1.0 111.975 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 56.52 68.65 1.58 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 36.3 pt -72.34 -20.74 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.934 0.397 . . . . 1.0 110.735 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -81.3 122.24 27.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.518 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -84.19 128.91 34.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.536 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -175.9 -148.78 7.08 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . 0.411 ' SG ' ' OD2' ' B' ' 268' ' ' ASP . 15.5 t -71.61 81.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.031 0.443 . . . . 1.0 110.521 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -102.03 91.22 4.24 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.328 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 52.4 68.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.446 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . 0.411 ' OD2' ' SG ' ' B' ' 265' ' ' CYS . 55.6 p-10 -149.13 16.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -72.12 102.57 1.17 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.37 -45.84 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.377 . . . . 1.0 110.464 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' B' ' 273' ' ' GLN . 0.0 OUTLIER -114.55 -176.58 2.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.386 -179.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 36.3 t80 59.65 -72.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.279 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' B' ' 271' ' ' GLU . 88.0 mt-30 -63.3 138.32 58.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.578 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -73.24 148.43 43.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 1.0 110.561 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -134.03 142.57 47.65 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.125 0.488 . . . . 1.0 110.439 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 72.7 mt -99.65 102.42 13.9 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.514 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -67.02 -39.86 87.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.802 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' B' ' 279' ' ' GLU . 96.3 mt-10 -57.47 -79.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.591 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' B' ' 278' ' ' GLU . 82.6 tt0 54.72 107.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.568 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 86.4 m95 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.902 -1.047 . . . . 1.0 110.597 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.29 40.04 30.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -80.5 -52.91 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 4' ' ' LEU . 11.3 mp -95.38 132.58 40.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 1.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.05 61.15 1.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.495 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.43 157.6 52.06 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.0 mm -99.39 104.79 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.061 0.458 . . . . 1.0 110.315 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' A' ' 9' ' ' MET . 63.9 t0 -103.33 78.31 1.6 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.597 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.504 ' O ' ' O ' ' A' ' 8' ' ' ASP . 0.9 OUTLIER 55.01 121.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.218 0.532 . . . . 1.0 110.7 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -46.35 -24.3 1.55 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' GLY . 67.2 ttp85 59.28 121.71 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.942 0.401 . . . . 1.0 110.301 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 13' ' ' LEU . 91.0 mt -129.67 155.87 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.017 0.437 . . . . 1.0 110.395 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 14' ' ' LEU . 12.0 mt -102.63 129.06 49.09 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.251 0.548 . . . . 1.0 110.643 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.7 mm? -117.36 133.5 55.9 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.941 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -111.89 128.71 56.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.614 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.48 143.15 48.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.797 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -62.29 151.85 35.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.656 HD21 ' N ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -58.23 -24.53 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.452 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.656 ' N ' HD21 ' A' ' 18' ' ' ASN . 80.3 mm-40 -71.34 -39.91 71.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.671 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.61 -42.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.708 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.3 mt -56.52 -39.67 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -64.45 -35.39 80.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.361 -0.381 . . . . 1.0 109.999 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.14 -45.95 68.81 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.009 0.433 . . . . 1.0 109.85 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.4 -42.92 98.81 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' HG21 ' A' ' 29' ' ' VAL . 66.4 t0 -57.11 -48.7 77.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.684 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.69 -47.56 85.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.82 -32.41 73.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.723 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -65.62 -38.9 90.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.878 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 25' ' ' ASP . 71.0 t -62.21 -42.09 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.773 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.532 ' C ' ' HE ' ' A' ' 31' ' ' ARG . 98.1 mt-30 -64.82 -44.29 90.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.026 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.716 ' N ' ' HE ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -74.16 -24.91 59.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.781 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 57.08 46.22 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 1.0 110.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.835 ' O ' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -140.52 160.92 57.42 Favored Pre-proline 0 C--O 1.219 -0.515 0 CA-C-O 121.118 0.485 . . . . 1.0 109.98 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 142.55 97.87 Favored 'Trans proline' 0 C--N 1.299 -2.065 0 C-N-CA 122.86 2.373 . . . . 1.0 113.26 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -61.06 -41.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.518 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.08 -38.35 24.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.445 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.51 -38.47 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.652 ' HG ' HD22 ' A' ' 33' ' ' LEU . 39.7 mt -65.7 -44.59 85.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.873 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.59 -44.42 90.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.804 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.06 -44.11 82.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.188 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.12 -39.62 94.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.532 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.94 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.263 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.08 -52.49 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -52.56 -44.56 65.94 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -62.39 -39.85 94.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.297 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -62.21 -41.79 98.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 1.0 110.198 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.73 -41.95 99.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.03 -44.66 98.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.246 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.44 ' C ' ' H ' ' A' ' 51' ' ' SER . 64.9 t30 -65.72 -35.41 80.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.237 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.82 24.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.486 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 49' ' ' ASN . 18.5 p -140.92 -54.29 0.49 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.603 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' N ' ' OG ' ' A' ' 51' ' ' SER . 97.3 mm-40 -64.48 -44.37 91.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.674 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.564 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 6.7 p -143.29 -175.49 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.544 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 53' ' ' THR . . . 74.08 -64.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 46.53 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.476 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 54' ' ' ALA . 2.6 t -81.45 171.43 14.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.466 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -62.55 140.71 58.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.466 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.67 143.64 15.83 Favored Pre-proline 0 N--CA 1.443 -0.82 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.212 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -45.97 133.23 14.49 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.554 2.17 . . . . 1.0 112.706 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.53 -61.44 0.52 Allowed Glycine 0 N--CA 1.464 0.529 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 pt -106.11 143.03 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.953 0.406 . . . . 1.0 110.579 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.518 ' O ' ' N ' ' A' ' 64' ' ' GLY . 98.0 m95 -83.83 5.38 25.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.551 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 62.04 -71.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.469 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 62' ' ' TRP . . . 82.3 94.12 0.54 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.5 t -82.59 133.58 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 1.0 110.426 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -129.23 156.17 44.39 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.466 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -55.52 141.72 35.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.617 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -143.24 117.2 9.39 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.428 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.4 -156.87 37.76 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.691 -0.964 . . . . 1.0 110.691 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 72' ' ' TYR . 68.3 t -121.48 127.54 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.878 0.371 . . . . 1.0 110.321 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -80.02 -40.11 28.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.767 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.483 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 89.7 t80 -128.72 146.4 50.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.087 0.47 . . . . 1.0 110.458 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.479 ' CD ' ' N ' ' A' ' 73' ' ' GLN . 2.5 pm0 -146.71 163.47 35.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.275 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -128.95 149.27 50.87 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.425 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -90.56 140.86 29.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.434 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 pp -78.42 -19.04 54.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.303 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -133.95 126.62 30.73 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.296 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -157.53 110.08 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.458 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.7 pm0 -108.36 60.32 0.61 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.434 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.542 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' B' ' 201' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . 0.578 ' C ' ' H ' ' B' ' 204' ' ' LEU . 36.8 t-20 -134.97 126.48 28.68 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.543 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 1.9 t 72.17 -27.19 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.7 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.578 ' H ' ' C ' ' B' ' 202' ' ' ASN . 7.1 tp -61.89 -42.64 99.32 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.446 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -66.01 140.1 58.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.259 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -130.83 57.77 0.72 Allowed Glycine 0 N--CA 1.465 0.597 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 84.4 mt -105.54 107.58 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.007 0.432 . . . . 1.0 110.176 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -151.78 85.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.544 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.8 mmm -74.15 169.26 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.341 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -117.4 -176.44 17.43 Favored Glycine 0 N--CA 1.465 0.598 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -141.33 127.12 19.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.069 0.461 . . . . 1.0 110.533 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 93.9 mt -135.59 140.26 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.551 ' N ' HD12 ' B' ' 213' ' ' LEU . 9.7 mp -98.87 130.29 45.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.298 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.718 HD13 ' H ' ' B' ' 215' ' ' ASP . 0.2 OUTLIER -123.36 135.16 54.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.092 179.449 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.718 ' H ' HD13 ' B' ' 214' ' ' LEU . 4.3 m-20 -95.49 119.62 34.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.675 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 9' ' ' MET . 3.5 mm? -109.13 -169.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.898 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.2 t -130.63 149.58 52.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -56.76 -38.52 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.347 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.9 -41.95 90.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.0 t -69.31 -45.01 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.604 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 89.9 mt -53.19 -35.17 22.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.269 -0.423 . . . . 1.0 109.877 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -66.31 -39.01 89.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.024 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.25 -46.87 78.8 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.994 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 89.6 mt -63.76 -42.27 97.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.668 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -57.33 -46.97 82.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -61.47 -45.93 92.19 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.433 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.91 -34.1 77.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.819 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' B' ' 228' ' ' GLU . 0.0 OUTLIER -65.61 -41.76 92.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.746 -179.442 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.14 -33.59 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.935 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.48 -37.01 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.31 0.381 . . . . 1.0 110.104 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 57.3 mtm180 -105.35 -88.49 0.44 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.677 -0.409 . . . . 1.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.553 ' C ' HD12 ' B' ' 233' ' ' LEU . 22.9 t30 168.22 18.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.601 0.563 . . . . 1.0 110.386 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.553 HD12 ' C ' ' B' ' 232' ' ' ASN . 11.3 mp -111.27 151.22 43.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.774 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.35 159.39 49.52 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.641 2.227 . . . . 1.0 111.94 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.5 ptt180 -64.98 -44.54 89.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.712 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.98 -39.19 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.249 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.88 -39.22 76.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.963 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.462 HD22 HH21 ' B' ' 231' ' ' ARG . 21.0 mt -68.3 -39.29 82.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.654 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.09 -42.71 99.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.488 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 -60.95 -41.41 96.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.279 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.05 -37.94 89.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.686 0.279 . . . . 1.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.49 98.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.204 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.22 -52.36 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.157 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -53.65 -48.97 68.9 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.57 -40.59 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.433 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . 0.45 ' O ' ' OE1' ' B' ' 250' ' ' GLN . 76.3 t80 -60.92 -42.8 98.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.87 -40.39 88.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.944 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.54 -44.69 99.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 123.36 0.413 . . . . 1.0 110.112 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . 0.644 ' C ' ' H ' ' B' ' 251' ' ' SER . 60.5 t-20 -63.38 -36.23 83.02 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.97 -0.382 . . . . 1.0 109.97 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' B' ' 251' ' ' SER . 2.9 mp0 -65.55 37.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.644 ' H ' ' C ' ' B' ' 249' ' ' ASN . 0.9 OUTLIER 84.49 -87.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 119.322 -0.37 . . . . 1.0 110.132 -178.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' B' ' 251' ' ' SER . 32.7 tt0 166.58 124.84 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.427 0.455 . . . . 1.0 110.098 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 12.0 m -100.48 96.53 7.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.849 0.356 . . . . 1.0 110.612 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -130.56 120.68 24.42 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.036 0.446 . . . . 1.0 110.424 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -99.11 41.11 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.304 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 59.8 m -97.9 119.24 36.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.993 0.425 . . . . 1.0 110.333 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 31.2 p -159.16 161.62 36.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.53 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.4 71.45 21.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.78 141.85 98.26 Favored 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.79 2.327 . . . . 1.0 111.94 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 143.5 -170.31 25.63 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . 0.457 HG22 ' H ' ' B' ' 263' ' ' GLN . 96.5 mt -77.61 136.76 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 1.0 110.724 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -55.95 -43.82 77.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.352 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . 0.457 ' H ' HG22 ' B' ' 261' ' ' ILE . 99.4 mt-30 -96.03 58.73 1.91 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.279 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -54.19 125.72 34.42 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 2.3 p -106.87 3.79 26.67 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.611 0.243 . . . . 1.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -56.78 140.49 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.514 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -76.82 162.54 27.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.675 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . 0.445 ' O ' ' OD2' ' B' ' 268' ' ' ASP . 44.4 p-10 -70.59 115.82 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.042 0.449 . . . . 1.0 110.485 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 149.6 53.73 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.44 133.25 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 1.0 110.476 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 272' ' ' TYR . 12.7 pt-20 -149.71 -166.21 2.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.596 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . 0.441 ' O ' ' O ' ' B' ' 271' ' ' GLU . 71.4 t80 56.85 114.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.441 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' B' ' 275' ' ' LYS . 5.4 tp-100 -65.1 124.72 22.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.469 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -52.61 84.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.618 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 273' ' ' GLN . 37.3 ttmt -151.23 107.6 3.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.563 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.563 ' N ' HD12 ' B' ' 276' ' ' LEU . 9.3 mp 43.15 97.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.526 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.65 -41.83 99.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -164.42 -32.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.318 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -142.61 163.27 33.26 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.479 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 4.4 m0 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.518 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mmm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.76 -40.04 94.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.56 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -151.94 160.14 43.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 6' ' ' GLY . 47.0 mt 57.26 178.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.45 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.78 -71.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.663 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . 68.08 -124.67 20.4 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.799 -0.921 . . . . 1.0 110.799 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.5 mt -100.67 111.02 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.433 . . . . 1.0 110.232 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -133.33 87.91 2.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.648 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp 55.34 -169.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.366 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.59 128.28 7.75 Favored Glycine 0 N--CA 1.466 0.665 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.59 139.64 38.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 1.0 110.763 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 13' ' ' LEU . 96.5 mt -139.71 155.51 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.425 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.445 ' N ' HG22 ' A' ' 12' ' ' ILE . 33.3 tp -119.34 125.49 49.17 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.8 tp -121.51 131.12 53.96 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.544 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -108.38 117.27 33.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.708 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' O ' ' A' ' 17' ' ' SER . 60.1 mt -132.01 145.02 51.19 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.745 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 16' ' ' LEU . 75.7 m -55.45 -158.59 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -110.96 -27.84 8.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.673 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -67.76 -29.71 68.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.288 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.35 -43.61 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.38 -36.57 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -66.35 -37.91 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.218 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -65.43 -48.61 72.17 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.98 -39.42 85.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.7 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.483 ' O ' HG21 ' A' ' 29' ' ' VAL . 22.8 t70 -55.82 -42.12 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.554 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.0 -43.15 99.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.4 mp -75.98 -29.27 58.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.653 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' ASN . 15.6 tm-20 -75.48 -40.22 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.835 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 25' ' ' ASP . 42.3 t -62.18 -50.91 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.648 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -58.32 -44.41 88.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.29 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.582 ' NH1' ' HH ' ' B' ' 246' ' ' TYR . 90.1 mtt180 -72.64 -34.47 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.975 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLU . 13.0 t-20 63.48 52.13 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 15.9 mt -139.61 154.4 71.23 Favored Pre-proline 0 C--O 1.222 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.3 145.46 93.33 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.647 2.231 . . . . 1.0 112.273 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -60.77 -47.56 85.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.829 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.94 -42.06 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.391 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -64.79 -38.72 91.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.821 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.55 -40.55 89.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.799 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.84 -47.69 82.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.868 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.8 ttm-85 -60.45 -42.52 96.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.4 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -68.46 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.16 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.405 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.59 -53.72 32.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -50.58 -45.23 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.048 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -56.57 -40.78 75.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.39 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.27 -42.69 99.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.26 -39.26 86.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.666 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.74 -44.91 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.12 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -61.84 -39.92 93.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.168 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -62.23 -42.26 99.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.592 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -50.15 -39.06 42.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.393 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.545 ' C ' ' H ' ' A' ' 54' ' ' ALA . 51.9 tt0 -50.99 160.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 54' ' ' ALA . 76.5 p -72.23 18.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.691 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' H ' ' C ' ' A' ' 52' ' ' GLN . . . 58.97 147.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.533 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -142.75 -57.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.679 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.558 ' C ' ' H ' ' A' ' 58' ' ' VAL . 17.2 m -63.38 -45.18 92.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.438 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.726 ' O ' ' O ' ' A' ' 58' ' ' VAL . 2.3 p 72.58 -18.98 0.32 Allowed 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.832 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.726 ' O ' ' O ' ' A' ' 57' ' ' SER . 19.2 m 43.93 151.73 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.694 0 O-C-N 124.248 0.967 . . . . 1.0 111.278 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.72 139.71 31.05 Favored 'Trans proline' 0 C--N 1.291 -2.473 0 C-N-CA 121.693 1.595 . . . . 1.0 112.184 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.5 115.53 0.65 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.861 -0.895 . . . . 1.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.7 tt -140.53 133.24 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 1.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.441 ' HE1' ' HE2' ' B' ' 271' ' ' GLU . 85.3 t90 -87.39 118.85 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.542 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -152.09 124.65 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.518 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.3 167.25 34.78 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.6 p -170.61 165.17 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 1.0 110.524 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 49.02 76.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.66 -97.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.6 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -167.45 158.12 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.562 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.82 103.74 3.09 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.23 -28.57 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 1.0 110.626 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -63.12 -36.41 83.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.47 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.1 t80 41.72 86.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.622 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -71.56 139.9 49.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.545 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -85.24 61.24 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.88 -41.1 97.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.784 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.595 ' N ' HD12 ' A' ' 76' ' ' LEU . 9.6 mp -64.57 -93.94 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.454 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -76.04 132.94 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.496 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -158.36 165.37 34.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.388 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -138.75 -54.33 0.6 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.607 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.3 t90 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.946 -1.026 . . . . 1.0 110.509 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 55.71 34.26 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.418 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 204' ' ' LEU . 70.6 m -72.89 -6.64 46.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.619 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' B' ' 205' ' ' ALA . 49.9 tp 58.85 147.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.733 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' B' ' 204' ' ' LEU . . . 59.97 132.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.463 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -80.23 143.62 25.17 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.21 124.17 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 1.0 110.322 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' B' ' 209' ' ' MET . 99.3 m-20 55.58 73.4 0.43 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.636 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' MET . . . . . 0.409 ' O ' ' O ' ' B' ' 208' ' ' ASP . 43.7 mmm -48.73 177.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.304 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -100.97 -14.58 30.9 Favored Glycine 0 N--CA 1.463 0.449 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' B' ' 210' ' ' GLY . 71.7 ttt180 56.26 126.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.152 0.501 . . . . 1.0 110.472 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.404 ' C ' HD12 ' B' ' 213' ' ' LEU . 18.4 mt -141.01 142.06 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.46 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.549 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.3 mp -96.8 136.35 37.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.306 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 54.6 tp -133.0 138.15 46.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.609 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' B' ' 215' ' ' ASP . 42.5 p-10 -123.45 122.36 38.04 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.655 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.46 153.52 43.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.8 m -65.75 158.51 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.99 -39.56 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.584 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . 0.554 ' O ' ' NE2' ' B' ' 223' ' ' GLN . 59.1 mp0 -58.39 -36.7 73.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.619 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.85 -41.91 91.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 1.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 66.8 mt -54.1 -36.27 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.186 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.54 -46.76 81.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.1 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' B' ' 219' ' ' GLU . 1.1 mp0 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 110.204 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.44 -39.59 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . 0.405 ' O ' HG21 ' B' ' 229' ' ' VAL . 56.7 t0 -56.41 -44.37 80.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.13 -41.88 93.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.443 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.49 -32.25 66.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.708 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -71.13 -40.89 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.561 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 78.5 t -66.25 -51.4 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.933 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -55.23 -43.72 74.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.706 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.6 ' HB3' HD23 ' B' ' 233' ' ' LEU . 10.4 mpt_? -78.81 -18.63 53.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.731 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 56.9 m-80 55.43 36.63 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.856 0.36 . . . . 1.0 110.541 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.83 ' O ' HD21 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -132.11 159.86 70.33 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.027 0.442 . . . . 1.0 110.018 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.04 140.45 95.32 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.839 2.359 . . . . 1.0 112.608 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.3 ptp180 -59.71 -43.53 94.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -47.86 -38.96 17.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.218 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . 0.406 ' OD2' ' O ' ' B' ' 237' ' ' ASP . 63.8 t0 -66.63 -39.35 88.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.889 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.7 ' HG ' HD22 ' B' ' 233' ' ' LEU . 34.1 mt -64.48 -40.54 95.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.81 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.87 -44.68 96.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -57.52 -44.41 85.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.259 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.47 -39.96 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.656 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.77 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.379 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.13 -53.76 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.366 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -50.9 -49.32 59.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -59.2 -41.79 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.552 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . 0.582 ' HH ' ' NH1' ' A' ' 31' ' ' ARG . 66.7 t80 -63.02 -45.54 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.38 -42.29 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.912 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.96 -45.59 98.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.386 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -64.52 -42.78 95.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 1.0 110.524 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -67.54 -43.63 80.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.82 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 34.3 t -69.91 -74.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.685 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -80.32 118.22 21.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 44.3 p -90.88 -15.34 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.545 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -156.33 170.76 21.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.445 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 59.46 75.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 44.3 p -85.85 163.67 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.435 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 40.6 t -149.49 147.27 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.45 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.93 149.97 51.42 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.597 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.2 153.42 77.39 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.646 2.23 . . . . 1.0 112.111 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -148.16 -72.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.34 -44.2 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 1.0 110.43 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -92.85 126.86 38.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.354 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -145.17 154.82 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.477 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -89.41 173.3 40.47 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 63.3 m -136.98 152.31 50.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.358 . . . . 1.0 110.516 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 53.78 32.2 14.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.25 -39.2 92.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.659 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -137.04 94.66 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.323 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -88.09 -2.72 80.28 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 93.3 t -80.1 132.32 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 1.0 110.408 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . 0.441 ' HE2' ' HE1' ' A' ' 62' ' ' TRP . 80.2 tt0 -151.52 87.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.446 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -71.37 130.68 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.586 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -159.78 149.95 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.309 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -113.33 134.72 54.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.993 0.425 . . . . 1.0 110.371 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -81.67 92.77 6.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.439 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' B' ' 276' ' ' LEU . 50.1 tp -131.07 123.48 28.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.509 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 40.9 90.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.774 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -60.27 -62.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.37 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -173.77 -58.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.44 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . 0.423 ' OXT' ' CE3' ' B' ' 280' ' ' TRP . 74.2 t90 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.595 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.425 ' O ' ' OD1' ' A' ' 2' ' ' ASN . 46.5 p-10 -148.18 128.58 13.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.591 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -62.42 -43.72 98.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.3 tp 52.73 80.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.3 141.35 45.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.681 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.3 63.72 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.8 pt -91.56 6.87 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.861 0.362 . . . . 1.0 110.607 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.98 9.43 39.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.538 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.9 mtp -75.02 -173.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.456 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -91.95 -26.06 20.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.519 -0.632 . . . . 1.0 111.519 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 71.8 ttt180 56.29 125.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.333 0.587 . . . . 1.0 110.179 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.9 mt -143.3 147.69 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.499 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.9 mp -97.73 133.79 41.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.06 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 HD13 HD13 ' B' ' 239' ' ' LEU . 40.3 tp -113.96 122.48 47.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -103.16 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.677 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' B' ' 209' ' ' MET . 13.5 mt -98.57 -171.67 2.17 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.628 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -105.22 4.42 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.641 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' B' ' 208' ' ' ASP . 2.0 m-20 76.79 -41.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.26 0.35 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 17' ' ' SER . 96.3 mt-10 -70.01 -25.32 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.125 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.2 t -76.62 -31.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.292 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.68 -41.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.588 ' HZ2' ' HE ' ' B' ' 255' ' ' ARG . 36.1 ttpt -65.29 -35.61 81.53 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -48.42 71.33 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.11 -32.95 74.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.569 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.23 -40.63 86.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -63.91 -38.43 91.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.454 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.7 mp -76.39 -28.96 56.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.872 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.65 -39.31 88.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.562 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.7 -49.51 79.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.807 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -57.64 -44.39 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.28 -22.84 54.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 56.41 42.01 28.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.64 153.14 72.08 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -56.44 142.51 89.07 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.716 2.277 . . . . 1.0 112.277 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' NH2' HD11 ' B' ' 212' ' ' ILE . 54.1 ttp180 -58.58 -48.04 82.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.711 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.75 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.541 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -65.12 -38.01 89.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.876 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.75 -39.95 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.829 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -47.07 86.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.466 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.87 -43.76 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.22 -41.53 85.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.378 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -67.32 -52.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -53.22 -48.73 67.91 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.24 -39.02 93.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.822 0.344 . . . . 1.0 110.488 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -58.9 -40.42 84.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.43 -42.81 96.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.9 mm -63.21 -47.58 91.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.604 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -64.79 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.488 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' NE2' HH21 ' B' ' 231' ' ' ARG . 5.3 tp-100 -58.7 -41.98 87.54 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-O 120.564 0.221 . . . . 1.0 110.489 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 t -62.82 -43.84 97.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.501 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.77 -39.5 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.592 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.2 m 49.76 85.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.477 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.15 -5.67 49.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.02 72.55 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.68 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -118.96 121.23 39.46 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.425 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 m -161.88 31.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.665 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 m -77.41 150.78 80.2 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.06 152.67 79.7 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.611 2.207 . . . . 1.0 112.065 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.41 29.11 2.53 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.2 tt -119.78 135.23 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.851 0.358 . . . . 1.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -110.44 150.9 28.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.417 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -57.78 133.57 55.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.403 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.522 ' O ' ' SG ' ' A' ' 65' ' ' CYS . . . -58.68 -43.25 96.42 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 64' ' ' GLY . 7.1 p 45.29 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.13 0.49 . . . . 1.0 110.623 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -147.33 159.64 43.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.54 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 56.0 mp0 -138.93 136.99 36.05 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.008 0.433 . . . . 1.0 110.41 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -87.52 179.22 6.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.656 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.59 -157.87 8.95 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.35 133.72 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 1.0 110.529 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -142.31 -65.52 0.41 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -86.56 130.48 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.424 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -94.79 146.28 24.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.4 mtp85 -56.02 -72.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.656 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -170.69 102.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.59 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.39 -36.27 83.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.512 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -59.17 132.43 54.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.258 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -86.47 140.72 29.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.727 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -80.74 94.14 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.436 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 86.7 t90 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.533 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 21.0 tpp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' B' ' 202' ' ' ASN . 37.4 p-10 -80.5 118.83 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.625 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 38.8 t -77.64 -4.0 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.482 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 60.8 tp -56.72 100.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.46 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -95.45 -72.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.605 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -93.59 -125.59 4.1 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.04 111.86 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 O-C-N 122.465 -0.432 . . . . 1.0 109.947 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.525 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 99.0 m-20 -131.02 34.28 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.698 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 34.8 mmm -106.45 172.11 6.99 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.905 0.383 . . . . 1.0 110.249 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' A' ' 18' ' ' ASN . . . -106.04 -24.45 6.9 Favored Glycine 0 N--CA 1.465 0.572 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 73.4 ttt180 57.26 122.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.994 0.426 . . . . 1.0 110.48 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.435 HD13 HD12 ' A' ' 16' ' ' LEU . 30.6 mt -142.44 148.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.528 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.527 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.0 mp -92.28 144.64 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.278 0.561 . . . . 1.0 110.394 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.652 HD21 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -142.43 144.69 33.18 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.65 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.652 ' H ' HD21 ' B' ' 214' ' ' LEU . 3.4 m-20 -101.86 106.85 17.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.623 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 215' ' ' ASP . 3.9 mm? -119.87 137.35 54.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.027 178.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 12.4 m -66.28 156.2 35.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.424 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -69.42 -24.45 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.657 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.33 -35.81 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.594 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.09 -42.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.353 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.2 -38.65 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -63.89 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -67.89 -48.46 65.98 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.951 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.26 -39.61 91.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.485 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -51.01 -41.14 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -61.79 -40.94 96.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 1.0 110.497 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . 0.482 ' N ' HD12 ' B' ' 227' ' ' LEU . 9.8 mp -69.42 -28.31 66.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.522 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 7.4 tm-20 -68.58 -42.53 78.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.197 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . 0.447 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 83.0 t -74.87 -42.5 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.68 -47.08 85.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.112 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.473 HH21 ' NE2' ' A' ' 50' ' ' GLN . 95.4 mtt-85 -91.05 -10.38 42.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.924 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 94.1 m-20 51.56 48.92 21.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.686 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.463 ' O ' ' OE2' ' B' ' 228' ' ' GLU . 17.7 mt -139.0 150.65 65.93 Favored Pre-proline 0 C--O 1.217 -0.611 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.575 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.85 150.93 51.62 Favored 'Trans proline' 0 C--N 1.301 -1.931 0 C-N-CA 122.982 2.455 . . . . 1.0 112.851 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.07 -48.76 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.256 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.3 -40.85 8.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.208 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.61 -39.03 91.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.615 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' B' ' 238' ' ' LEU . 87.3 mt -64.49 -42.73 95.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.76 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . 0.404 HD13 HD13 ' A' ' 14' ' ' LEU . 96.5 mt -63.63 -47.94 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.505 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -58.35 -44.87 88.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.82 -41.03 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.413 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.32 80.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.164 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.23 -52.06 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -51.63 -48.2 63.41 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -59.44 -40.6 87.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.48 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.07 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.83 -41.68 96.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.619 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.95 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . 0.538 ' C ' ' H ' ' B' ' 251' ' ' SER . 66.7 t30 -61.64 -33.21 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.994 0.426 . . . . 1.0 109.946 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . 0.433 ' O ' ' CB ' ' B' ' 251' ' ' SER . 93.1 mm-40 -74.52 34.23 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.495 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.538 ' H ' ' C ' ' B' ' 249' ' ' ASN . 0.8 OUTLIER 76.58 9.01 3.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.828 179.709 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' B' ' 251' ' ' SER . 1.4 pt20 45.87 -179.6 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.241 0 O-C-N 124.243 0.964 . . . . 1.0 110.881 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 1.5 m 71.98 160.02 0.22 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.586 . . . . 1.0 109.663 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 256' ' ' THR . . . -169.3 -160.83 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.527 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.588 ' HE ' ' HZ2' ' A' ' 22' ' ' LYS . 84.1 mtt85 53.14 -86.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.703 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 256' ' ' THR . . . . . 0.564 ' C ' ' H ' ' B' ' 258' ' ' VAL . 43.7 p -86.9 -25.25 24.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.564 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.04 -1.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.617 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . 0.734 HG13 ' O ' ' B' ' 258' ' ' VAL . 14.2 p -173.37 75.02 0.39 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.432 0.634 . . . . 1.0 110.312 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -59.8 144.38 99.46 Favored 'Trans proline' 0 C--N 1.299 -2.073 0 C-N-CA 122.769 2.313 . . . . 1.0 111.975 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -98.14 119.39 6.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 28.5 pt -82.61 -10.86 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 1.0 110.544 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -59.75 -41.7 91.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.518 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -62.05 144.47 55.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 165.15 72.25 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 45.2 t -82.03 118.52 23.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.954 0.406 . . . . 1.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -137.87 26.76 2.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.601 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -74.3 2.19 9.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.585 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -62.16 -39.37 92.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.524 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 73.02 69.02 1.46 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . 0.478 HG21 ' N ' ' B' ' 271' ' ' GLU . 32.0 m -63.49 -40.91 90.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 1.0 110.552 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . 0.478 ' N ' HG21 ' B' ' 270' ' ' VAL . 79.4 tt0 -107.28 121.09 43.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.893 0.377 . . . . 1.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -71.88 135.6 46.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' B' ' 274' ' ' ARG . 57.6 tt0 -79.77 123.52 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.573 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 273' ' ' GLN . 61.2 ttt85 55.47 111.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.511 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . 0.586 ' HZ1' ' HB3' ' B' ' 275' ' ' LYS . 1.1 ptpm? -62.48 -171.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.538 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.641 ' H ' HD21 ' B' ' 276' ' ' LEU . 0.8 OUTLIER -156.25 12.39 0.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.628 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . 0.526 ' CZ ' ' HE2' ' B' ' 279' ' ' GLU . 79.9 ttt-85 -69.66 128.96 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.079 -178.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -172.18 107.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.453 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . 0.526 ' HE2' ' CZ ' ' B' ' 277' ' ' ARG . 47.8 mp0 -65.03 -42.61 94.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.473 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mmm . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 109.197 -0.668 . . . . 1.0 109.197 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -74.36 145.13 44.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.433 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.487 ' O ' ' O ' ' A' ' 4' ' ' LEU . 3.1 p 47.17 29.48 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.608 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? 57.73 135.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.774 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.03 176.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.3 101.94 0.15 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 pt -90.02 16.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.909 0.385 . . . . 1.0 110.541 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' B' ' 218' ' ' ASN . 81.9 m-20 -87.53 8.88 23.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.638 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.6 mtm -74.7 -155.17 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.44 29.56 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -101.81 144.77 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' B' ' 214' ' ' LEU . 52.5 mt -138.22 137.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 1.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.562 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.8 mm? -93.42 124.01 37.12 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.074 0.464 . . . . 1.0 110.5 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.2 mm? -116.89 131.21 57.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' C ' HD23 ' A' ' 16' ' ' LEU . 96.6 m-20 -102.13 110.59 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 15' ' ' ASP . 4.4 mm? -105.44 -165.97 1.17 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.6 -154.39 0.54 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.031 0.443 . . . . 1.0 110.358 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -111.21 -38.58 4.98 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.194 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -28.36 64.66 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.072 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.59 -37.97 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 120.944 0.402 . . . . 1.0 110.244 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.51 -42.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.399 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.76 -38.6 91.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.19 -45.58 80.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.305 -0.407 . . . . 1.0 109.925 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.28 -45.3 92.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.899 0.381 . . . . 1.0 110.799 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.28 -47.5 85.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.52 -45.35 92.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.04 -30.8 70.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.66 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' ASN . 21.3 mt-10 -66.9 -42.29 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.668 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.47 -42.43 96.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.613 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.98 -46.21 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.629 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -80.82 -12.71 59.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.596 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 14.1 m120 56.04 37.95 29.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.1 mt -134.05 150.54 74.61 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.812 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 154.7 72.69 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.719 2.279 . . . . 1.0 112.134 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 9.7 ptp85 -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.495 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.5 -39.3 33.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.107 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -69.75 -39.99 76.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.34 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.9 -41.99 86.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.49 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.71 -44.56 89.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.761 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -57.78 -42.98 85.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.258 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.69 -38.01 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.452 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.16 -44.54 97.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.09 -53.96 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.289 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.35 -44.58 68.62 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.117 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.78 -36.48 84.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.868 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.532 ' CE1' ' OE1' ' A' ' 50' ' ' GLN . 77.2 t80 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.479 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.22 -46.94 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.463 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.4 mp -57.23 -43.6 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -64.08 -36.46 84.08 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.532 ' OE1' ' CE1' ' A' ' 46' ' ' TYR . 4.7 mp0 -85.1 27.0 0.81 Allowed 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 48' ' ' ILE . 76.7 p -98.12 -4.67 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.84 0.353 . . . . 1.0 110.723 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -148.91 100.49 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.022 0.439 . . . . 1.0 110.352 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -104.14 7.5 36.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.488 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.89 -38.58 76.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.502 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -127.64 143.38 51.16 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.079 0.466 . . . . 1.0 110.613 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -145.35 159.51 42.94 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.399 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -116.85 132.29 56.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.3 m -74.88 147.44 83.97 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.673 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.56 134.88 31.83 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.571 2.181 . . . . 1.0 112.1 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.69 -41.1 75.81 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.743 HD11 ' N ' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -133.24 127.54 54.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.878 -0.416 . . . . 1.0 109.878 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.743 ' N ' HD11 ' A' ' 61' ' ' ILE . 71.0 t90 -137.16 93.68 2.86 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.786 0.327 . . . . 1.0 111.014 177.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -65.66 -40.09 92.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.734 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.41 -49.47 2.38 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 32.1 p -173.55 123.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 1.0 110.502 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -83.94 145.87 28.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.662 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.66 129.63 40.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -91.29 108.66 20.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.452 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.6 151.86 46.94 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.838 -0.905 . . . . 1.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.17 139.72 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.896 0.379 . . . . 1.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 73' ' ' GLN . 57.1 mp0 -63.4 97.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.653 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.549 ' C ' ' H ' ' A' ' 74' ' ' ARG . 88.7 m-85 -63.17 -4.24 2.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 71' ' ' GLU . 50.9 tp60 69.56 -39.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' A' ' 72' ' ' TYR . 90.1 mtm180 50.29 -170.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.49 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -136.32 152.15 50.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.065 0.46 . . . . 1.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.31 69.36 1.37 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -64.4 -41.16 96.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.551 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 53.4 177.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 1.0 110.433 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -137.72 145.82 42.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.021 0.439 . . . . 1.0 110.409 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.1 m95 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.622 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.36 -39.96 94.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 84.4 p -74.15 151.41 40.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.538 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' B' ' 205' ' ' ALA . 44.5 tp -118.48 118.2 31.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.578 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 204' ' ' LEU . . . 67.37 -59.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.371 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' B' ' 204' ' ' LEU . . . 97.43 156.37 30.34 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.761 -0.936 . . . . 1.0 110.761 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . 0.446 ' C ' ' H ' ' B' ' 209' ' ' MET . 5.6 pt -111.6 120.65 62.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.101 0.477 . . . . 1.0 110.586 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -77.51 15.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.595 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' MET . . . . . 0.446 ' H ' ' C ' ' B' ' 207' ' ' ILE . 71.1 mmm -82.94 168.2 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.433 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -116.93 120.86 4.96 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 110.864 -0.895 . . . . 1.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -82.24 136.46 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.06 0.457 . . . . 1.0 110.546 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.523 HG22 ' N ' ' B' ' 213' ' ' LEU . 96.8 mt -137.39 158.66 35.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.379 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.544 HD21 ' N ' ' B' ' 214' ' ' LEU . 1.2 tt -113.54 112.42 23.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.072 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.544 ' N ' HD21 ' B' ' 213' ' ' LEU . 33.6 tp -113.23 131.21 55.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.639 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 44.7 p-10 -121.15 122.94 41.09 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.453 . . . . 1.0 110.502 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.3 mt -129.58 152.28 49.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.651 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.1 m -55.67 152.25 9.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 62.6 m-80 -61.57 -38.46 87.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.263 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -56.86 -33.9 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.417 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.35 -43.07 81.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.43 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.76 -37.04 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.73 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.9 -38.0 87.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 1.0 109.958 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.01 -48.01 72.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.237 -0.438 . . . . 1.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.94 -41.23 86.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.429 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.5 -41.1 80.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.449 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.43 -46.56 89.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.42 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . 0.405 ' N ' HD12 ' B' ' 227' ' ' LEU . 8.9 mp -66.42 -31.84 72.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.522 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 232' ' ' ASN . 32.3 mt-10 -63.85 -43.63 95.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.23 -43.17 95.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.564 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -65.49 -38.23 89.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.486 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.42 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 6.8 mmp_? -93.78 -3.03 52.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.631 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 228' ' ' GLU . 3.9 p-10 43.6 37.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.503 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.2 mt -133.64 151.65 77.55 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.693 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.76 149.91 89.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.58 2.186 . . . . 1.0 112.205 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.7 ptp180 -60.1 -42.76 95.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.492 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.44 -41.83 30.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.395 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -70.14 -40.24 74.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.548 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.26 -42.03 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.65 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.28 -42.11 99.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.574 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -55.86 -44.97 78.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.283 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -69.19 -37.39 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.06 88.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.385 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.58 -53.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -55.55 -49.45 72.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -54.59 -41.89 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.637 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -63.53 -44.18 95.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 1.0 110.487 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.61 -35.85 80.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.69 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.86 -44.01 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . 0.601 ' C ' ' H ' ' B' ' 251' ' ' SER . 67.3 t30 -68.91 -35.91 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.149 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' B' ' 251' ' ' SER . 14.3 mm100 -70.51 28.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.335 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.601 ' H ' ' C ' ' B' ' 249' ' ' ASN . 2.6 p 78.59 132.9 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.138 0.494 . . . . 1.0 110.378 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -139.08 50.72 1.81 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.605 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 64.9 p -83.76 169.05 15.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -138.34 97.13 3.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.435 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -69.27 -25.58 64.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.703 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 35.8 p -67.35 -30.23 69.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.555 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 47.1 t 55.31 81.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.522 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 4.1 t -145.83 57.97 4.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.977 0.418 . . . . 1.0 110.489 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -70.1 154.31 66.51 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.704 2.269 . . . . 1.0 112.039 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -62.88 -35.88 92.62 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 81.5 mt -106.06 114.65 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.003 0.43 . . . . 1.0 110.373 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -90.77 -65.14 1.04 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.594 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -75.04 75.01 2.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.528 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -173.35 168.98 42.07 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 40.7 t -173.48 -20.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 1.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -160.39 24.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.64 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.4 138.85 58.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.364 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -141.54 53.45 1.52 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.626 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 81.78 13.67 79.27 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.43 131.41 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.874 0.369 . . . . 1.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.87 -92.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.711 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . 0.422 ' H ' ' H ' ' B' ' 273' ' ' GLN . 7.7 p90 -168.03 -13.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . 0.422 ' H ' ' H ' ' B' ' 272' ' ' TYR . 95.5 mt-30 54.42 85.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.711 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 41.14 -97.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.678 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' B' ' 273' ' ' GLN . 26.1 pttm -104.24 175.01 5.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.717 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.596 HD23 ' N ' ' B' ' 276' ' ' LEU . 3.7 mm? -74.05 144.45 45.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.746 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -49.63 -72.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.594 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 46.11 52.32 10.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.569 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.86 -37.39 86.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.673 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.545 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.2 -43.5 97.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.676 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -163.17 136.56 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.545 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.0 mt 43.73 65.22 1.05 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.711 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.88 15.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.52 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.89 -135.42 3.72 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.2 mm -99.85 108.83 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 1.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -161.66 70.47 0.34 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.748 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.4 ' SD ' ' OG ' ' B' ' 217' ' ' SER . 63.1 mtm -81.54 162.12 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.408 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -179.94 24.66 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.653 -0.979 . . . . 1.0 110.653 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -130.38 128.58 41.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.834 0.349 . . . . 1.0 110.538 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 mm -127.31 147.37 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.711 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.8 mp -98.76 136.03 39.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.326 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -130.07 136.36 49.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.435 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -120.57 123.93 44.06 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.3 mt -129.34 151.46 49.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -66.59 156.22 35.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.472 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -61.22 -31.57 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.462 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.88 -35.03 77.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.95 -41.76 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.385 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.6 mt -53.96 -41.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.018 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.18 -37.84 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 1.0 110.277 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.01 -48.95 69.47 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.31 -38.69 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' O ' HG21 ' A' ' 29' ' ' VAL . 47.1 t0 -55.0 -45.94 75.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.552 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -60.51 -44.04 96.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.1 mp -74.48 -28.57 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.93 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASN . 8.3 tm-20 -76.2 -42.13 47.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.82 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 25' ' ' ASP . 57.8 t -66.38 -51.54 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.67 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -52.44 -45.91 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.51 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.598 ' HE ' HD22 ' A' ' 33' ' ' LEU . 72.2 mtp85 -81.73 -32.86 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.756 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' GLU . 55.2 t30 63.19 65.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.898 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.598 HD22 ' HE ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -150.27 159.24 35.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.355 0.598 . . . . 1.0 110.586 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.46 141.69 95.08 Favored 'Trans proline' 0 C--N 1.3 -1.978 0 C-N-CA 122.703 2.268 . . . . 1.0 112.175 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.425 HH11 ' CD1' ' B' ' 212' ' ' ILE . 44.6 ttm180 -61.31 -43.88 98.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.475 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.36 -41.06 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.287 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.46 -39.7 95.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.68 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.97 -43.39 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.66 -47.78 82.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.789 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -57.89 -43.9 86.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.484 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.36 -39.63 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.9 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.307 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.92 -51.62 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.148 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -52.83 -48.05 67.25 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -56.54 -42.28 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.744 0.307 . . . . 1.0 110.479 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -63.69 -43.2 97.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.036 0.446 . . . . 1.0 110.608 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.28 -40.67 97.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.4 mt -60.32 -44.76 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.333 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.47 ' C ' ' H ' ' A' ' 51' ' ' SER . 63.0 t30 -64.77 -39.4 93.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.188 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -78.57 27.51 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.797 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.7 ' C ' ' H ' ' A' ' 53' ' ' THR . 28.1 t -160.67 165.08 31.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.318 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.612 ' C ' ' H ' ' A' ' 54' ' ' ALA . 96.2 mt-30 63.52 -26.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.516 0.51 . . . . 1.0 110.74 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.7 ' H ' ' C ' ' A' ' 51' ' ' SER . 4.1 m 66.45 -13.68 0.17 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.594 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.612 ' H ' ' C ' ' A' ' 52' ' ' GLN . . . -73.63 141.79 46.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.511 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -138.79 136.45 35.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.41 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p -79.46 164.09 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -77.51 162.75 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.758 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.02 136.68 82.18 Favored Pre-proline 0 N--CA 1.442 -0.838 0 C-N-CA 120.238 -0.585 . . . . 1.0 110.124 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.3 144.46 30.51 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.615 2.21 . . . . 1.0 112.144 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.32 156.58 34.1 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 61' ' ' ILE . 1.4 pp -134.99 170.81 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.124 0.487 . . . . 1.0 110.623 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -82.98 162.59 21.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.415 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -58.81 136.36 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.56 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.35 106.93 0.29 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.3 m -98.05 145.25 26.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 1.0 110.484 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.696 ' HE2' ' CZ ' ' B' ' 255' ' ' ARG . 80.3 mm-40 -63.22 123.06 17.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.383 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -92.09 113.53 25.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.542 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.34 -43.45 98.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.542 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 70' ' ' VAL . . . 80.1 6.01 89.36 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 69' ' ' GLY . 25.7 t 47.15 97.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 1.0 110.431 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -131.23 122.15 26.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.945 0.402 . . . . 1.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 74' ' ' ARG . 97.4 m-85 -91.11 60.86 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.49 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 52.94 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.623 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 72' ' ' TYR . 71.2 ttt180 47.59 63.56 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.54 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -62.91 -41.61 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.494 ' C ' HD21 ' A' ' 76' ' ' LEU . 2.0 tt -170.98 -65.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.606 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.0 91.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.828 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.77 145.61 25.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.551 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 79' ' ' GLU . 1.5 pm0 -145.88 -27.57 0.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.608 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.394 -179.856 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 14.2 m120 56.88 35.2 26.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.582 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 33.5 t -165.42 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.623 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 55.7 mt -63.73 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.589 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -64.3 146.84 53.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.507 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -151.26 158.47 27.72 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.68 -0.968 . . . . 1.0 110.68 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 92.1 mt -109.0 117.01 53.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.943 0.401 . . . . 1.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -153.46 75.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.6 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 79.5 mtp -89.25 177.17 6.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.311 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -113.09 179.83 19.2 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -139.47 128.62 23.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 1.0 110.404 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.425 ' CD1' HH11 ' A' ' 35' ' ' ARG . 82.6 mt -135.52 149.32 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.334 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.485 ' N ' HD12 ' B' ' 213' ' ' LEU . 11.2 mp -102.23 128.24 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.986 0.422 . . . . 1.0 110.238 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.67 132.8 54.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.644 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -113.05 128.37 56.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.63 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 64.1 mt -128.54 140.01 52.01 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 217' ' ' SER . . . . . 0.4 ' OG ' ' SD ' ' A' ' 9' ' ' MET . 9.1 m -66.02 155.49 36.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.367 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -57.94 -38.03 75.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.362 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.76 -41.36 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.537 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.64 -39.62 47.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.77 -37.75 88.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 1.0 110.248 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.38 -48.52 75.14 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 121.032 0.444 . . . . 1.0 109.913 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.5 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.475 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.37 -40.22 85.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -65.52 -38.96 91.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.655 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.99 -29.63 63.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.847 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' B' ' 233' ' ' LEU . 6.0 tm-20 -69.46 -42.08 75.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.959 0.409 . . . . 1.0 110.912 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.61 -48.26 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.838 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.01 -45.92 89.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.698 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -78.14 -26.36 47.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.936 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 66.7 t30 58.92 42.9 18.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 16.0 mt -138.52 153.96 73.0 Favored Pre-proline 0 C--O 1.222 -0.361 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.001 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.82 144.52 99.44 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.764 2.309 . . . . 1.0 112.288 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 30.5 ptt180 -58.62 -45.29 89.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -45.8 -43.19 13.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.116 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.99 -39.74 93.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.406 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.04 -40.64 95.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.727 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.79 -48.03 82.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.41 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -59.18 -43.5 92.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -65.86 -38.35 88.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.12 87.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.59 -53.79 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -49.81 -48.69 50.64 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.02 -41.36 99.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 1.0 110.558 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.29 -47.95 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.491 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.14 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' B' ' 252' ' ' GLN . 95.6 mt -65.39 -48.61 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.591 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -65.77 -42.74 90.47 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.514 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.41 -42.58 99.55 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 252' ' ' GLN . 82.7 p -88.32 -9.08 53.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.555 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' B' ' 248' ' ' ILE . 82.8 mm-40 55.3 159.97 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 2.9 t -144.05 156.51 44.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.508 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 61.02 -167.99 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.509 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.696 ' CZ ' ' HE2' ' A' ' 66' ' ' GLU . 89.3 mtm180 -140.44 168.42 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.526 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 64.5 p -62.01 137.72 58.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.32 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 257' ' ' SER . . . . . 0.716 ' O ' ' O ' ' B' ' 258' ' ' VAL . 39.9 t -64.29 129.35 39.6 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 118.809 -0.615 . . . . 1.0 109.908 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . 0.716 ' O ' ' O ' ' B' ' 257' ' ' SER . 28.7 m 43.56 149.97 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.769 0 O-C-N 124.444 1.09 . . . . 1.0 111.508 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -49.09 -39.21 41.34 Favored 'Trans proline' 0 C--N 1.288 -2.61 0 C-N-CA 121.675 1.583 . . . . 1.0 112.207 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 91.94 -115.03 4.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 31.7 pt -83.08 141.56 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 1.0 110.707 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -85.5 126.77 34.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -90.73 -39.85 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.359 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 136.58 -137.97 9.47 Favored Glycine 0 N--CA 1.464 0.542 0 N-CA-C 110.643 -0.983 . . . . 1.0 110.643 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 7.6 t -113.07 176.69 4.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.869 0.366 . . . . 1.0 110.503 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.63 131.43 50.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.495 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -102.2 161.08 13.97 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -82.04 113.77 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.576 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -150.45 31.7 1.03 Allowed Glycine 0 CA--C 1.519 0.292 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . 0.412 ' O ' HG21 ' B' ' 270' ' ' VAL . 35.5 m -114.56 129.43 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.002 0.43 . . . . 1.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' B' ' 271' ' ' GLU . 56.0 mp0 -85.58 -66.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.452 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' B' ' 271' ' ' GLU . 80.8 t80 41.84 93.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.621 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' B' ' 274' ' ' ARG . 85.0 mt-30 -127.84 -40.46 1.71 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.545 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 273' ' ' GLN . 28.9 mmt180 59.41 126.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.007 0.432 . . . . 1.0 110.482 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . 0.45 ' HD3' ' H ' ' B' ' 275' ' ' LYS . 1.7 mppt? -71.62 134.58 46.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.586 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' B' ' 275' ' ' LYS . 47.1 mt 58.37 151.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.416 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 90.5 mtm-85 -65.43 -37.61 87.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.495 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 56.74 -95.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.5 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . 0.523 ' O ' ' CG ' ' B' ' 280' ' ' TRP . 96.1 mt-10 -139.08 6.26 2.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.492 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' B' ' 279' ' ' GLU . 97.4 m95 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -69.04 122.49 18.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.5 p -73.82 154.08 39.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 4' ' ' LEU . 38.5 tp -110.94 127.43 55.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.525 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.3 48.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.02 110.99 3.15 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.8 mt -102.24 109.6 26.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.925 0.393 . . . . 1.0 110.458 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -169.45 78.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.57 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mmm -56.61 176.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.537 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.67 154.97 16.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -123.89 120.11 31.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.996 0.426 . . . . 1.0 110.482 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.4 ' C ' HD12 ' A' ' 13' ' ' LEU . 93.3 mt -137.2 152.76 28.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.5 mp -99.33 139.59 34.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.783 HD21 ' H ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -134.47 140.85 46.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.539 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.783 ' H ' HD21 ' A' ' 14' ' ' LEU . 46.2 p-10 -119.66 127.28 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.722 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -131.31 148.51 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -59.67 152.32 22.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -62.55 -37.66 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.598 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -56.18 -35.57 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.545 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -68.31 -42.68 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.93 -39.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.24 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.04 -39.38 93.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.14 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -66.32 -48.97 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.193 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.28 -40.19 96.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.295 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -59.66 -42.94 93.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.508 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.399 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.12 -28.69 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -66.01 -41.48 90.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.543 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.2 -43.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.82 -44.32 97.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.851 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -77.89 -11.77 59.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 53.31 34.29 17.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.2 mt -135.04 153.92 78.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.17 145.51 97.51 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 122.733 2.288 . . . . 1.0 112.0 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 40.4 ptt180 -61.13 -41.57 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.595 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.95 -42.25 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.289 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -66.2 -40.31 90.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.473 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.727 HD13 HD22 ' B' ' 214' ' ' LEU . 88.7 mt -61.34 -44.4 97.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.554 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.77 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.359 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.74 -50.63 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.332 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -54.54 -48.79 71.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.954 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -57.17 -42.27 80.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.423 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.698 ' HH ' HH12 ' B' ' 231' ' ' ARG . 41.5 t80 -63.51 -42.01 98.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.436 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -42.64 97.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.16 -45.25 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 1.0 109.863 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -66.78 -41.96 86.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.323 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.496 ' OE1' ' CG ' ' A' ' 46' ' ' TYR . 2.6 mp0 -65.6 -44.88 85.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.38 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.2 t -69.25 -17.17 63.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.591 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.44 -44.56 96.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.582 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.0 p 44.32 41.32 4.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.547 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 143.07 56.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.511 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 56' ' ' THR . 84.6 mtt85 -69.26 138.07 53.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.5 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 55' ' ' ARG . 68.7 p 48.78 178.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.56 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -152.7 156.2 38.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.534 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.7 m -93.18 149.4 37.38 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.545 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.52 153.04 74.54 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.819 2.346 . . . . 1.0 112.094 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.45 -167.71 0.71 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 62' ' ' TRP . 97.1 mt -63.29 -43.64 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 121.032 -0.267 . . . . 1.0 110.423 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.434 ' O ' ' O ' ' A' ' 61' ' ' ILE . 66.2 t-105 47.2 98.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.527 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -152.68 -63.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.491 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.93 109.74 3.0 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.1 -37.32 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 1.0 110.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 55.04 87.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.527 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -134.53 55.57 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.65 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -88.5 1.23 55.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.511 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.1 99.85 0.1 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.92 132.71 70.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.8 0.334 . . . . 1.0 110.474 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' OE2' ' N ' ' A' ' 71' ' ' GLU . 56.8 mp0 -72.29 120.6 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.678 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -62.04 -44.95 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.482 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -156.49 128.76 7.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.545 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -75.75 146.23 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.69 176.04 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 1.0 110.52 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.26 146.75 49.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -75.37 133.76 41.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.519 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -82.01 -26.7 33.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 80' ' ' TRP . 99.3 mt-10 53.99 14.63 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.516 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.536 ' CG ' ' O ' ' A' ' 79' ' ' GLU . 4.8 m-90 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.52 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -63.48 -41.97 98.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.549 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 12.3 t -175.04 97.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.613 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.58 HD23 ' N ' ' B' ' 204' ' ' LEU . 3.8 mm? -88.89 -5.79 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.518 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -160.15 156.23 26.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 83.49 33.84 21.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.019 -0.833 . . . . 1.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . 0.507 HD13 ' N ' ' B' ' 208' ' ' ASP . 1.1 pp -97.62 7.79 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.716 0.293 . . . . 1.0 110.619 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.507 ' N ' HD13 ' B' ' 207' ' ' ILE . 49.2 t0 -80.63 10.81 4.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.542 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 77.4 mtp -141.22 124.43 16.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.92 35.02 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -77.03 130.23 37.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 1.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.441 HG22 ' N ' ' B' ' 213' ' ' LEU . 87.5 mt -134.53 154.94 38.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.493 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.441 ' N ' HG22 ' B' ' 212' ' ' ILE . 0.1 OUTLIER -111.32 128.66 56.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.994 0.426 . . . . 1.0 110.363 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.727 HD22 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -115.44 131.52 56.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -101.95 111.13 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.4 mt -116.81 130.61 56.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.668 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 1.6 t -63.12 149.05 46.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.439 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -55.57 -38.24 69.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.47 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 66.7 t -68.24 -42.39 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 1.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -55.34 -39.58 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.03 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.18 -48.22 68.61 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.051 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . 0.544 ' C ' HH12 ' B' ' 235' ' ' ARG . 63.3 mt -65.49 -39.86 92.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.419 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -57.87 -47.08 83.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.576 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.69 -39.83 92.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.999 0.428 . . . . 1.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' B' ' 232' ' ' ASN . 38.5 tt0 -60.88 -42.69 98.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.709 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.19 -41.91 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.816 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -55.17 -47.91 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.942 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.698 HH12 ' HH ' ' A' ' 46' ' ' TYR . 99.3 mtt180 -92.74 -15.72 26.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.716 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' B' ' 228' ' ' GLU . 18.8 m120 57.13 36.75 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 84.6 mt -109.6 156.0 40.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 1.0 110.536 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.16 144.51 99.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.531 2.154 . . . . 1.0 112.272 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.544 HH12 ' C ' ' B' ' 224' ' ' LEU . 4.7 tpm_? -61.28 -54.02 49.4 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.023 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -53.33 -38.2 63.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.2 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . 0.435 ' O ' ' OE1' ' B' ' 241' ' ' GLU . 62.3 t0 -66.54 -40.76 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 1.0 110.612 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.514 HD13 HH21 ' B' ' 235' ' ' ARG . 78.8 mt -66.94 -40.7 87.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.787 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.37 -44.16 97.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.568 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -57.38 -42.6 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.184 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' B' ' 241' ' ' GLU . 1.4 mp0 -63.36 -42.65 98.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.8 78.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.511 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.8 -53.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.534 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.38 -43.57 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.031 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -58.05 -41.07 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.424 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.47 -42.52 98.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.595 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.99 -41.72 98.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.753 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.48 -45.33 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.3 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . 0.555 ' C ' ' H ' ' B' ' 251' ' ' SER . 15.9 t-20 -65.14 -34.58 78.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.071 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . 0.425 ' O ' ' CB ' ' B' ' 251' ' ' SER . 83.9 mm-40 -72.92 29.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.537 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.555 ' H ' ' C ' ' B' ' 249' ' ' ASN . 1.4 t 76.68 117.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -156.82 -77.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.569 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 15.2 t -165.94 -21.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 57.12 108.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.623 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -84.48 121.2 27.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.464 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 256' ' ' THR . . . . . 0.431 ' O ' ' O ' ' B' ' 257' ' ' SER . 41.7 p -67.27 -33.34 75.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.558 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 257' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 256' ' ' THR . 7.9 t 59.57 131.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.575 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.8 m -149.27 73.03 10.07 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.519 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.14 144.51 99.48 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.706 2.271 . . . . 1.0 112.08 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' B' ' 262' ' ' TRP . . . -72.4 -71.5 1.06 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . 0.4 HG22 ' N ' ' B' ' 262' ' ' TRP . 89.2 mt 44.38 -91.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 1.0 110.606 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . 0.496 ' N ' ' O ' ' B' ' 260' ' ' GLY . 71.9 t-105 -168.19 -6.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.546 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . 0.416 ' H ' ' H ' ' B' ' 262' ' ' TRP . 6.5 tp-100 -63.81 -39.29 93.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.382 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -65.1 92.54 0.14 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 17.5 t -173.96 -23.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 1.0 110.571 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -67.12 140.52 57.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.497 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 53.27 82.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.448 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -89.17 111.87 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.5 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -60.86 -100.14 0.01 OUTLIER Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.939 -0.865 . . . . 1.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.9 159.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 1.0 110.519 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -170.97 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.534 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . 0.468 ' C ' ' H ' ' B' ' 274' ' ' ARG . 95.7 m-85 -79.6 151.49 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.641 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 54.63 9.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.614 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' B' ' 272' ' ' TYR . 62.3 ttp180 -79.86 -69.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.669 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' B' ' 274' ' ' ARG . 69.6 mmtt 59.27 135.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' B' ' 275' ' ' LYS . 51.4 mt 58.98 123.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.44 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . 0.436 ' CD ' ' N ' ' B' ' 277' ' ' ARG . 3.0 mpt_? -61.65 -42.24 98.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.474 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -69.13 142.0 54.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.85 -39.97 91.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 98.4 m95 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.5 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.9 m120 55.74 61.57 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.599 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 4' ' ' LEU . 46.8 t -61.41 135.98 57.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.628 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 3' ' ' SER . 54.1 mt 51.38 171.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.572 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.86 96.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.688 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.43 164.0 33.75 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.673 -0.971 . . . . 1.0 110.673 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.4 mt -116.33 70.95 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.843 0.354 . . . . 1.0 110.293 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 46.12 34.22 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.469 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' A' ' 9' ' ' MET . 81.7 mtp -67.08 122.89 18.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.229 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.53 138.58 30.59 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.505 HH21 HD21 ' B' ' 213' ' ' LEU . 28.8 ttt85 -84.0 141.09 31.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' C ' HD23 ' A' ' 13' ' ' LEU . 75.9 mt -133.51 149.8 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 1.0 110.51 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 12' ' ' ILE . 4.2 mm? -104.21 111.85 24.63 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.344 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' B' ' 212' ' ' ILE . 49.4 tp -108.77 126.59 53.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.213 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -115.85 124.26 50.21 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.973 0.416 . . . . 1.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -134.6 151.19 50.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.725 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -63.63 157.55 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.562 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -63.09 -37.53 87.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.525 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -57.39 -32.73 67.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.4 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.15 -44.19 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.67 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.9 mt -53.38 -38.17 31.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -64.57 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 1.0 110.005 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -67.09 -48.31 68.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.193 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.37 -40.89 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -51.86 -42.11 62.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.397 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -59.6 -43.17 93.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.401 . . . . 1.0 110.257 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.0 mp -70.26 -29.67 66.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.428 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.5 mt-10 -70.98 -39.93 72.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.91 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.24 -50.06 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.759 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.353 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.693 HH21 ' NE2' ' B' ' 250' ' ' GLN . 84.4 mmt-85 -85.05 -15.92 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.804 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' GLU . 11.1 m120 56.89 37.87 29.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.297 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.3 mt -136.52 152.62 75.08 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.028 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.45 151.44 84.94 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.62 2.213 . . . . 1.0 112.055 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -58.82 -45.26 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.842 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.23 -37.92 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.052 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' A' ' 37' ' ' ASP . 66.1 t0 -68.73 -37.82 79.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 1.0 110.741 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.75 -39.83 91.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.65 -44.04 97.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.757 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -60.63 -43.21 97.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.19 -40.36 82.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.58 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.38 96.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.32 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.85 -53.51 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.2 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.31 -48.66 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.853 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.62 -41.19 98.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.704 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' GLN . 75.3 t80 -60.99 -44.59 97.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' CG ' ' A' ' 50' ' ' GLN . 90.3 mt -59.64 -46.74 88.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.479 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.23 -46.22 91.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.63 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.18 -18.16 60.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.639 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.49 ' C ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -43.47 -34.06 1.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.485 -179.474 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 50' ' ' GLN . 14.4 t -64.82 -42.0 95.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.151 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -86.2 50.41 1.98 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.636 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 50' ' ' GLN . 52.1 m -76.25 -73.28 0.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.649 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.72 78.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.66 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -145.52 132.71 20.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.899 0.38 . . . . 1.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' SER . 13.7 t -150.17 167.44 26.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.495 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 56' ' ' THR . 8.4 t 60.25 137.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.623 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 m -79.61 149.56 71.61 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.687 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.79 -22.25 43.4 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.668 2.245 . . . . 1.0 112.02 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.29 -167.72 35.66 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.639 -0.984 . . . . 1.0 110.639 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.597 HD13 ' O ' ' A' ' 61' ' ' ILE . 1.3 pp -126.13 167.2 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.212 0.529 . . . . 1.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -74.5 137.65 42.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.485 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -147.01 154.3 41.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.488 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.41 173.27 45.23 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.0 t -135.98 132.41 36.31 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.906 0.384 . . . . 1.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -75.07 119.71 19.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.276 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -92.29 128.0 37.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -90.29 102.14 14.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.354 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 71' ' ' GLU . . . -94.06 -127.27 4.75 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.692 -0.963 . . . . 1.0 110.692 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' TYR . 9.0 t 57.5 -76.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 121.38 -0.128 . . . . 1.0 110.751 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 69' ' ' GLY . 12.3 pt-20 31.54 38.12 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.4 0.438 . . . . 1.0 110.958 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.503 ' CD2' ' N ' ' A' ' 73' ' ' GLN . 84.9 t80 -74.68 -99.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.29 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.503 ' N ' ' CD2' ' A' ' 72' ' ' TYR . 96.2 mt-30 45.32 93.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.57 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -142.52 91.58 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.354 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -117.66 110.2 17.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.456 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.1 tp -94.66 75.38 3.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.359 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -87.95 -25.35 23.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.756 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 58.32 -92.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.527 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 41.37 90.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.546 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.59 -40.79 96.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 20.6 m -72.15 125.65 27.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.439 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 204' ' ' LEU . 10.7 mp -63.88 -41.83 97.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.494 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -62.04 145.91 51.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.596 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -177.34 -55.06 0.07 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -108.6 110.54 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.838 -0.43 . . . . 1.0 109.838 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -140.35 66.44 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.46 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 57.2 mtp -102.24 176.39 5.21 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.854 0.359 . . . . 1.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -101.23 -19.36 16.77 Favored Glycine 0 N--CA 1.461 0.365 0 N-CA-C 111.57 -0.612 . . . . 1.0 111.57 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.5 ttm-85 57.38 124.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.008 0.432 . . . . 1.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.474 ' C ' HD12 ' B' ' 213' ' ' LEU . 90.5 mt -136.96 148.8 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.285 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.562 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.2 mp -101.33 131.68 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ILE . 59.1 tp -131.38 138.32 49.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 215' ' ' ASP . 37.9 p-10 -129.51 133.08 47.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 1.0 110.7 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.498 ' O ' ' O ' ' B' ' 217' ' ' SER . 91.4 mt -135.37 160.82 37.24 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.474 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 217' ' ' SER . . . . . 0.498 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -53.65 -159.08 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.364 179.572 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -103.95 -43.81 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.797 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -59.32 -27.57 66.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.352 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.38 -43.7 78.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.547 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.96 -34.74 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -68.17 -38.52 82.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.088 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.38 -46.82 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.912 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.5 mt -63.0 -39.35 94.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.689 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -54.84 -42.55 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.573 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.28 -40.11 89.23 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.646 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.71 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.79 -39.26 73.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.199 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 64.7 t -86.9 -36.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.905 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -43.87 -27.45 0.35 Allowed 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 83.7 mtt85 -117.98 -92.72 0.52 Allowed 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 120.361 -0.535 . . . . 1.0 110.867 178.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.53 ' H ' HD12 ' B' ' 233' ' ' LEU . 19.3 t30 165.92 60.71 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.82 0.7 . . . . 1.0 110.997 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.773 ' C ' HD23 ' B' ' 233' ' ' LEU . 0.0 OUTLIER -164.12 156.03 14.42 Favored Pre-proline 0 C--N 1.312 -1.03 0 CA-C-O 121.385 0.612 . . . . 1.0 110.174 -177.627 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . 0.522 ' O ' HD23 ' B' ' 233' ' ' LEU . 19.8 Cg_endo -57.94 142.51 96.59 Favored 'Trans proline' 0 C--N 1.293 -2.36 0 C-N-CA 122.37 2.047 . . . . 1.0 113.882 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 20.1 ptp180 -57.98 -40.73 81.39 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.25 0.548 . . . . 1.0 110.658 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -46.12 -43.1 14.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.143 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . 0.512 ' HB2' HD21 ' B' ' 233' ' ' LEU . 58.1 m-20 -63.59 -35.36 80.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.519 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.429 ' HG ' HD22 ' B' ' 233' ' ' LEU . 6.8 mt -67.14 -39.31 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.933 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' B' ' 239' ' ' LEU . 92.6 mt -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.99 -42.04 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.345 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.7 -37.25 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.622 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.51 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.75 -53.73 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.448 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -51.07 -47.12 61.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 1.0 109.856 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -63.06 -40.59 98.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.554 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . 0.535 ' CZ ' ' OE1' ' B' ' 250' ' ' GLN . 82.3 t80 -61.84 -44.1 97.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.288 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.19 -44.61 97.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.324 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.07 -46.02 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.112 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -66.47 -22.56 66.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.588 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . 0.693 ' NE2' HH21 ' A' ' 31' ' ' ARG . 54.5 tp60 -56.85 -39.02 73.5 Favored 'General case' 0 N--CA 1.437 -1.116 0 O-C-N 123.129 0.268 . . . . 1.0 110.594 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.536 ' C ' ' H ' ' B' ' 253' ' ' THR . 84.0 p -77.8 165.27 24.38 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.125 0.488 . . . . 1.0 110.688 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 54.61 6.29 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 253' ' ' THR . . . . . 0.536 ' H ' ' C ' ' B' ' 251' ' ' SER . 58.9 m -130.01 124.51 33.12 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.398 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -179.82 45.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.445 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' B' ' 257' ' ' SER . 89.2 mtm180 -77.56 -82.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.569 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 6.8 p 43.51 20.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.664 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 257' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 255' ' ' ARG . 67.8 m -157.28 167.04 31.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.584 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 11.3 t 59.39 73.16 0.7 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.544 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.11 149.67 88.03 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.894 2.396 . . . . 1.0 111.978 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -56.1 136.78 47.91 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.874 -0.89 . . . . 1.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 85.3 mt -107.3 128.31 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.848 0.356 . . . . 1.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -149.81 -6.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.539 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -79.54 128.74 33.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -169.68 159.61 32.4 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 44.3 t 39.09 71.86 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.939 0.399 . . . . 1.0 110.83 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' B' ' 266' ' ' GLU . 58.6 mp0 -67.29 -38.87 85.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.624 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -155.36 141.17 18.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.471 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -140.61 104.58 4.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.421 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -86.32 131.0 10.25 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.09 110.68 26.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 1.0 110.382 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -109.18 3.43 21.82 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.448 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.6 -45.61 93.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.539 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 54.9 92.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.46 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -67.11 142.38 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.581 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 18.7 tptp 60.65 98.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.601 ' O ' HD13 ' B' ' 276' ' ' LEU . 0.2 OUTLIER -62.13 -44.21 97.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.841 -179.202 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' B' ' 279' ' ' GLU . 6.9 tpt180 71.81 -52.89 0.69 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.896 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 48.46 -86.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.639 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' B' ' 277' ' ' ARG . 41.4 tt0 58.0 104.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.518 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . 0.513 ' CG ' ' O ' ' B' ' 280' ' ' TRP . 74.8 t-105 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.509 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -63.22 -40.24 96.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 m 47.46 -169.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.419 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -86.86 161.61 18.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.002 -179.774 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . 70.87 -62.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.509 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 8' ' ' ASP . . . 79.59 -161.36 46.32 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.408 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 60.3 mt -65.53 71.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.918 0.39 . . . . 1.0 110.279 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' GLY . 2.8 p30 45.31 32.04 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.586 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.1 mtp -85.98 126.43 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.317 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -61.45 121.49 26.3 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' HD2' HD11 ' B' ' 213' ' ' LEU . 61.0 ttp180 -74.1 130.75 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 1.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -134.57 142.22 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.919 0.39 . . . . 1.0 110.088 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.9 mp -98.97 126.5 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.256 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.8 tp -114.18 128.4 56.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.0 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -109.15 111.11 22.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.505 ' O ' ' SD ' ' B' ' 209' ' ' MET . 82.5 mt -104.68 -162.28 0.88 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.056 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -130.16 152.17 49.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 1.0 110.284 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -51.27 -39.27 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.418 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.8 -38.73 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.54 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.5 -45.01 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.413 . . . . 1.0 110.754 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.24 -34.69 22.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 1.0 109.929 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.83 -40.35 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.168 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.06 -47.5 79.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.104 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.5 -41.91 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.78 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.21 -41.31 83.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -58.34 -40.75 82.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.04 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.19 -30.58 65.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.65 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.3 mt-10 -70.63 -40.84 72.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.805 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.88 -49.66 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.78 -45.37 94.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.59 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.524 ' NH1' HD23 ' A' ' 38' ' ' LEU . 78.2 mtp180 -84.51 -14.84 47.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.768 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' GLU . 15.4 m120 55.48 40.91 31.29 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.536 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 mt -133.59 151.87 78.01 Favored Pre-proline 0 N--CA 1.463 0.178 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.03 151.56 84.06 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.551 2.167 . . . . 1.0 112.161 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 20.7 ptp180 -64.3 -45.82 86.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.284 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -45.59 -41.24 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.104 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.66 -38.67 84.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.542 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 ' NH1' ' A' ' 31' ' ' ARG . 97.5 mt -67.87 -39.46 83.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.647 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.22 -45.28 94.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -56.34 -42.64 78.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.127 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 81.0 mm-40 -68.71 -36.98 79.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.445 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.73 81.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.08 -54.21 37.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 120.694 -0.403 . . . . 1.0 110.463 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -53.46 -50.95 64.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.128 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 1.8 mp0 -65.06 -37.6 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.408 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' GLN . 83.2 t80 -61.01 -44.65 97.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.551 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.421 HD21 HD11 ' B' ' 227' ' ' LEU . 8.7 mt -57.4 -47.94 80.39 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.756 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.5 mt -73.05 -48.91 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.182 0.515 . . . . 1.0 110.846 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 51' ' ' SER . 5.7 t-20 -67.49 -14.76 63.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.926 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' SER . 1.7 tm0? -43.45 -13.87 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.646 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.5 p 83.34 50.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.534 0.683 . . . . 1.0 111.104 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.547 ' C ' ' H ' ' A' ' 54' ' ' ALA . 3.9 tp-100 -56.63 80.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.518 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 51' ' ' SER . 54.4 p 51.36 8.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.571 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.547 ' H ' ' C ' ' A' ' 52' ' ' GLN . . . -72.76 142.92 48.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.48 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 54' ' ' ALA . 15.5 tpp180 43.95 97.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -59.19 -44.54 92.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.667 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.2 p -76.3 138.54 40.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.493 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 57' ' ' SER . 12.8 m -154.33 59.03 2.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 161.61 45.25 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.786 2.324 . . . . 1.0 112.026 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.83 32.4 11.13 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.072 -0.811 . . . . 1.0 111.072 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.67 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -41.5 160.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.948 0.404 . . . . 1.0 110.534 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -66.76 105.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.542 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -93.88 -24.02 17.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.499 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.81 32.56 70.34 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.49 121.07 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.507 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -136.25 141.68 43.94 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.484 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -76.1 88.27 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.429 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -84.47 113.5 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.31 -158.37 20.88 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.0 p -132.86 142.82 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.77 0.319 . . . . 1.0 110.615 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 71' ' ' GLU . 56.9 mp0 -69.68 -164.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.1 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.18 138.56 52.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.711 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 44.86 86.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.395 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -86.59 144.6 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.465 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -118.47 146.95 44.11 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.115 0.483 . . . . 1.0 110.62 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.1 mt 55.89 -167.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.323 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -83.53 139.0 33.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.4 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.33 139.83 54.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.576 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -88.0 -0.15 56.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.512 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.532 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.42 ' HG2' ' H ' ' B' ' 203' ' ' SER . 44.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.206 -0.664 . . . . 1.0 109.206 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . 0.45 ' O ' ' O ' ' B' ' 203' ' ' SER . 26.0 p-10 -63.2 -35.17 79.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.565 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' SER . . . . . 0.45 ' O ' ' O ' ' B' ' 202' ' ' ASN . 15.6 t 56.59 118.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 78.4 mt -87.49 9.12 21.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.352 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -56.58 145.28 28.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 84.55 147.74 8.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.391 -1.084 . . . . 1.0 110.391 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 28.6 mm -108.79 114.38 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 120.796 0.331 . . . . 1.0 110.227 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.45 ' OD2' ' O ' ' B' ' 208' ' ' ASP . 61.9 t0 -118.23 23.23 11.71 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.292 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 9.0 mmm -105.26 -179.29 3.9 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.208 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -115.65 -7.55 15.57 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 111.149 -0.78 . . . . 1.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.1 ttp180 58.16 133.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.026 0.441 . . . . 1.0 110.419 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.498 ' CD1' HD12 ' A' ' 16' ' ' LEU . 95.6 mt -140.76 154.99 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.13 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.512 HD11 ' HD2' ' A' ' 11' ' ' ARG . 9.8 tp -113.87 140.08 48.65 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.602 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.729 HD21 ' H ' ' B' ' 215' ' ' ASP . 0.4 OUTLIER -143.09 146.93 34.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.766 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.729 ' H ' HD21 ' B' ' 214' ' ' LEU . 92.3 m-20 -114.59 115.3 26.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.694 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 10' ' ' GLY . 4.1 mm? -115.51 145.76 42.32 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.873 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 65.4 m -59.03 -160.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.344 -0.844 . . . . 1.0 109.819 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -107.2 -22.24 12.68 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.669 0.271 . . . . 1.0 110.52 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . 0.558 ' OE2' ' N ' ' B' ' 219' ' ' GLU . 55.4 mp0 -75.97 -32.8 59.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.692 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.49 -45.07 79.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.77 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -52.96 -34.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 1.0 109.897 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.53 -39.97 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.206 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -66.19 -46.95 75.54 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.004 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.68 -41.98 99.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.88 -40.12 91.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.212 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.91 -38.83 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.033 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . 0.421 HD11 HD21 ' A' ' 47' ' ' LEU . 95.5 mt -73.24 -29.3 62.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.678 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 232' ' ' ASN . 41.3 mt-10 -70.65 -39.04 73.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.852 0.358 . . . . 1.0 110.752 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.1 -49.41 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.4 -46.11 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.674 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -82.92 -14.17 54.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.71 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' B' ' 228' ' ' GLU . 76.8 m-20 51.31 46.89 25.81 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.783 ' O ' HD21 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -135.91 158.09 74.64 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.68 148.7 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.741 2.294 . . . . 1.0 112.808 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 235' ' ' ARG . 39.3 ttp-105 -60.39 -44.81 95.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.355 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.92 -41.14 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.249 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -65.53 -37.55 87.07 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.581 ' HG ' HD22 ' B' ' 233' ' ' LEU . 42.4 mt -66.48 -42.3 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.867 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.18 -46.84 82.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.819 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.63 -44.05 93.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.97 -38.21 82.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.767 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.17 96.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.82 -52.15 53.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.149 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -52.08 -47.34 65.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.933 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.98 -41.71 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.846 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.55 -41.72 95.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.799 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.52 -44.44 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.049 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . 0.465 ' C ' ' H ' ' B' ' 251' ' ' SER . 52.7 t30 -63.98 -39.21 93.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.125 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -79.45 32.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.529 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.465 ' H ' ' C ' ' B' ' 249' ' ' ASN . 15.1 m -164.89 59.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.624 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -85.35 83.97 7.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 3.5 p 44.04 33.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -118.09 84.63 2.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.347 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -84.13 139.87 32.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.335 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 59.9 p -97.22 167.3 11.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.608 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 42.7 m -73.02 178.89 4.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.336 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.44 60.23 51.09 Favored Pre-proline 0 N--CA 1.465 0.306 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.85 158.66 54.92 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.841 2.361 . . . . 1.0 112.093 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -56.52 155.88 13.39 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.722 -0.951 . . . . 1.0 110.722 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . 0.437 ' O ' HG23 ' B' ' 261' ' ' ILE . 20.0 tt -95.63 130.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.88 0.372 . . . . 1.0 110.562 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 61.0 t-105 -63.93 -43.08 96.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.417 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.68 110.6 22.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.023 0.439 . . . . 1.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -71.9 103.14 1.23 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.88 -29.17 70.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.953 0.406 . . . . 1.0 110.603 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.78 -34.65 78.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.478 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 55.95 -110.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.521 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.22 -5.13 55.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.582 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 87.29 164.64 40.37 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 272' ' ' TYR . 31.1 m -79.89 -12.0 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 1.0 110.561 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -41.41 92.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.76 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' B' ' 270' ' ' VAL . 88.1 t80 -81.71 131.96 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.51 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . 0.497 ' O ' ' CE2' ' B' ' 272' ' ' TYR . 65.8 tt0 -68.08 127.26 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.424 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -74.34 141.7 45.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.637 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -159.28 97.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.351 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.589 ' N ' HD12 ' B' ' 276' ' ' LEU . 9.7 mp -89.25 134.02 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.467 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.15 139.09 46.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.467 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -162.67 120.53 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.696 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -70.0 -38.63 76.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.601 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.929 -1.034 . . . . 1.0 110.626 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 4' ' ' LEU . 52.1 t-20 -87.11 75.6 9.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t -61.73 -42.19 98.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.693 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 4' ' ' LEU . 8.8 mp -77.4 135.45 38.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.461 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -172.56 -75.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.472 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 166.4 101.96 0.16 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 pt -95.36 96.83 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.217 0.532 . . . . 1.0 110.527 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.5 t0 48.21 73.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.492 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 72.2 mtp -134.55 -179.05 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.78 140.02 10.41 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -91.32 147.53 22.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 1.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' B' ' 214' ' ' LEU . 8.1 mm -134.13 154.93 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.581 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 12' ' ' ILE . 37.3 tp -116.62 121.47 41.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -127.81 138.17 52.63 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.455 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 15' ' ' ASP . 41.1 p-10 -115.0 113.99 24.83 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.801 0.334 . . . . 1.0 110.793 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -114.7 139.49 49.62 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.766 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -56.99 157.43 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.251 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.743 HD21 ' H ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -65.53 -26.67 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.577 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.743 ' H ' HD21 ' A' ' 18' ' ' ASN . 79.6 tt0 -67.74 -38.9 84.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.554 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.19 -43.24 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.533 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.6 -36.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -66.08 -40.59 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.274 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -63.64 -48.91 75.32 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.749 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.88 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.646 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -42.87 82.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -61.76 -42.84 99.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 1.0 110.195 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.19 -33.3 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.746 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 32' ' ' ASN . 33.5 mt-10 -65.12 -43.29 92.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.83 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.44 -44.29 98.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -67.49 -40.48 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 39.1 mmm-85 -88.21 -3.47 58.86 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.808 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' GLU . 5.0 p-10 43.6 41.37 3.42 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -135.08 150.55 73.3 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.943 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.52 152.48 78.42 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.541 2.161 . . . . 1.0 112.058 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -62.47 -40.31 96.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.7 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.65 52.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.368 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -65.13 -42.14 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.53 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.81 -41.46 95.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.797 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.58 -41.95 99.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.734 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.57 -43.54 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.188 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.31 -44.52 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.95 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.583 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.72 -53.66 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.839 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -56.84 -44.79 82.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.322 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -54.84 -45.36 74.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.695 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -64.83 -45.18 87.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 51' ' ' SER . 49.4 mt -62.61 -44.85 95.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.155 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.7 mt -54.35 -39.27 43.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 C-N-CA 120.791 -0.364 . . . . 1.0 110.482 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -85.18 -29.75 24.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.789 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.654 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.9 tp-100 -96.64 -72.33 0.64 Allowed 'General case' 0 N--CA 1.435 -1.207 0 CA-C-O 118.37 -0.824 . . . . 1.0 109.768 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p 29.79 -82.24 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.987 1.43 . . . . 1.0 110.678 178.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.654 ' N ' ' O ' ' A' ' 50' ' ' GLN . 73.2 mt-30 -46.86 147.37 1.33 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.996 -1.456 . . . . 1.0 110.153 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.8 m -126.85 128.08 45.97 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.533 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.2 34.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.487 ' CZ ' HE22 ' A' ' 50' ' ' GLN . 96.4 mtt180 -91.97 102.94 15.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.441 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.5 m -88.3 -12.87 42.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.459 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 t 63.55 139.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.289 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.9 m -141.87 60.81 11.7 Favored Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.63 154.7 70.94 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.698 2.265 . . . . 1.0 111.989 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.4 92.39 0.9 Allowed Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.663 -0.975 . . . . 1.0 110.663 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.3 pt -92.86 142.99 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.859 0.361 . . . . 1.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -59.46 -36.9 76.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.87 130.06 41.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.48 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.73 129.46 2.59 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 110.718 -0.953 . . . . 1.0 110.718 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 75.0 m -125.4 151.86 45.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.881 0.372 . . . . 1.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' A' ' 68' ' ' ASP . 17.3 pt-20 -151.14 -179.95 7.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.537 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.69 40.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.565 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 66' ' ' GLU . 49.8 p30 -58.29 168.05 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.586 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.88 106.16 0.39 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -138.45 142.41 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.939 0.399 . . . . 1.0 110.334 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -156.15 79.29 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.571 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.02 128.73 37.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.544 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -79.11 115.53 18.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.351 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -79.33 131.19 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.574 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -139.46 135.38 33.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.522 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 76' ' ' LEU . 9.6 mp -72.88 56.74 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -60.98 -42.61 98.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.592 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 57.06 106.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.513 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -65.59 -42.8 91.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.453 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.53 ' O ' ' N ' ' B' ' 203' ' ' SER . 12.2 ptt? . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 8.2 m120 51.76 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.608 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' SER . . . . . 0.53 ' N ' ' O ' ' B' ' 201' ' ' MET . 15.3 m 47.86 56.07 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.506 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.624 HD23 ' N ' ' B' ' 204' ' ' LEU . 3.5 mm? 57.88 145.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.898 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.39 88.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.676 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 148.0 -177.28 26.37 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' B' ' 209' ' ' MET . 1.1 tt -92.92 99.62 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.249 0.547 . . . . 1.0 110.086 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' B' ' 209' ' ' MET . 2.4 p30 42.51 21.18 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.541 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' MET . . . . . 0.518 ' N ' ' O ' ' B' ' 207' ' ' ILE . 54.7 mmm 45.51 -172.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.213 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -113.58 -8.54 18.59 Favored Glycine 0 N--CA 1.466 0.7 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 80.7 ttt180 56.2 117.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 1.0 110.163 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.4 mm -121.41 147.37 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 22.2 tp -110.42 121.09 44.45 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.215 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 12' ' ' ILE . 41.8 tp -128.96 140.11 51.8 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.776 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' B' ' 215' ' ' ASP . 22.2 p30 -127.7 123.88 36.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.454 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' B' ' 217' ' ' SER . 63.4 mt -122.59 152.72 40.15 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.623 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 217' ' ' SER . . . . . 0.615 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -47.31 -158.76 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.876 0.735 . . . . 1.0 110.664 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -106.18 -39.1 6.06 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 122.034 -0.416 . . . . 1.0 110.94 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -32.27 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.352 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.26 -47.6 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.467 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.18 -33.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.2 -39.67 89.83 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.98 -46.7 88.09 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' B' ' 224' ' ' LEU . 3.4 mm? -62.53 -43.68 98.21 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.677 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.82 -47.88 81.37 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 123.553 0.533 . . . . 1.0 110.466 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.61 -47.13 87.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . 0.419 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.2 mt -65.86 -34.14 77.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.915 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 3.6 tm-20 -65.75 -42.5 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.033 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.876 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.83 -42.99 72.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.976 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.471 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.5 mmm180 -68.4 -38.61 81.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.661 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 50.2 t30 73.39 48.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.17 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.606 ' O ' HD12 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.83 158.72 32.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.51 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.16 145.13 93.87 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.492 2.128 . . . . 1.0 112.235 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -61.44 -38.75 88.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.353 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.26 54.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.122 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.09 -40.64 98.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 109.996 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.444 HD22 ' HE ' ' B' ' 231' ' ' ARG . 83.0 mt -63.38 -43.34 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.088 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.68 -44.09 94.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.22 -42.43 90.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.359 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.24 -39.28 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.56 93.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.501 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.06 -53.62 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.473 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -53.86 -48.45 69.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.856 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -56.79 -42.72 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.73 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.08 -43.2 99.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.481 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.29 -45.11 95.84 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.529 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' B' ' 250' ' ' GLN . 89.1 mt -53.92 -43.4 57.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -46.59 -14.98 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.518 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' B' ' 248' ' ' ILE . 23.3 mt-30 -54.87 -40.76 70.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.768 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 32.6 t -134.01 100.71 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 1.0 110.504 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -159.04 -12.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.393 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 99.6 m -61.66 -47.87 83.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.745 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 50.06 -166.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -92.21 97.25 10.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.488 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 256' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 258' ' ' VAL . 50.3 p -69.31 -31.16 69.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.584 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 46.3 t 56.18 -80.93 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.655 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' B' ' 256' ' ' THR . 3.4 m -147.06 151.47 41.32 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.76 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -44.48 133.42 9.67 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.433 2.089 . . . . 1.0 112.084 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 145.8 106.2 0.48 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . 0.484 HG23 ' N ' ' B' ' 262' ' ' TRP . 10.4 tp -67.61 -41.17 85.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.849 0.357 . . . . 1.0 110.675 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . 0.484 ' N ' HG23 ' B' ' 261' ' ' ILE . 91.4 t90 -83.34 113.58 20.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.213 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -108.16 144.72 35.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.209 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -160.69 55.1 0.33 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 1.6 p -62.28 -42.68 99.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.328 . . . . 1.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.6 136.96 57.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.388 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -120.57 124.92 46.49 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.435 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -42.19 98.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.354 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 93.36 110.73 2.06 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.7 -0.96 . . . . 1.0 110.7 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' B' ' 272' ' ' TYR . 14.7 p -140.76 138.23 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.691 0.282 . . . . 1.0 110.404 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 47.19 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.572 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . 0.546 ' N ' ' O ' ' B' ' 270' ' ' VAL . 64.5 t80 -167.28 40.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.515 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 51.87 -108.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.56 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -78.46 136.38 37.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.77 0.319 . . . . 1.0 110.553 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -89.27 138.72 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.51 HD23 ' N ' ' B' ' 276' ' ' LEU . 4.0 mm? -63.78 -42.18 97.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.849 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . 0.431 ' H ' ' H ' ' B' ' 278' ' ' GLU . 33.9 ptt180 -173.7 -2.09 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.625 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . 0.431 ' H ' ' H ' ' B' ' 277' ' ' ARG . 84.2 tt0 -69.64 136.35 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.399 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . 0.518 ' OE2' ' N ' ' B' ' 280' ' ' TRP . 2.9 pp20? -90.08 -168.68 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 1.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . 0.518 ' N ' ' OE2' ' B' ' 279' ' ' GLU . 65.7 p-90 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.725 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.544 ' O ' ' N ' ' A' ' 3' ' ' SER . 97.5 mmm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.8 t30 55.71 -79.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 1' ' ' MET . 2.6 m 54.7 99.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 5' ' ' ALA . 56.3 mt 55.92 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.718 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' SER . . . 50.0 176.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.402 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.77 62.4 0.04 OUTLIER Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.789 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.9 mp -84.27 2.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.969 0.414 . . . . 1.0 110.417 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -107.06 12.81 28.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.787 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.516 ' SD ' ' OG ' ' B' ' 217' ' ' SER . 90.5 mmm -75.7 114.6 14.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.688 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.26 129.55 14.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -84.26 145.01 28.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 1.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.406 ' C ' HD23 ' A' ' 13' ' ' LEU . 64.9 mt -139.49 149.51 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.579 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.9 mm? -95.4 123.88 39.15 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 120.989 0.423 . . . . 1.0 110.669 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.727 HD22 HD13 ' B' ' 239' ' ' LEU . 0.8 OUTLIER -114.12 130.3 56.59 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.437 -0.801 . . . . 1.0 111.08 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -101.58 111.06 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.616 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' B' ' 210' ' ' GLY . 20.8 mt -124.55 132.96 53.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.514 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.02 155.01 11.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.397 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -59.97 -36.65 77.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.425 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 19' ' ' GLU . 54.2 mp0 -56.57 -36.19 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.621 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.57 -43.16 80.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.941 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.7 mm -52.97 -40.68 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.087 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -63.69 -40.24 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.312 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.02 -47.18 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.067 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 73.0 mt -58.19 -44.3 87.97 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.401 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.628 ' O ' HG21 ' A' ' 29' ' ' VAL . 27.5 t70 -62.14 -34.77 76.99 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.954 0.406 . . . . 1.0 110.667 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -66.44 -50.29 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.449 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 pp -79.53 -28.89 41.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.289 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 78.1 tt0 -75.66 -38.23 58.96 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.975 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.628 HG21 ' O ' ' A' ' 25' ' ' ASP . 40.7 t -65.41 -45.99 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.224 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -67.46 -36.69 81.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.579 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -71.73 -17.91 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.62 41.02 32.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 mt -137.73 152.23 72.16 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.795 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.87 144.41 93.36 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.565 2.177 . . . . 1.0 112.145 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 36' ' ' ALA . 49.7 ptt85 -60.49 -39.91 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.323 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 35' ' ' ARG . . . -49.16 -41.25 35.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.097 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.03 -42.8 80.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.748 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.86 -42.53 85.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.63 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.718 HD13 HD22 ' B' ' 214' ' ' LEU . 84.2 mt -63.17 -45.53 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.7 -43.46 85.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.296 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -65.25 -41.04 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.533 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.365 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.5 -53.39 32.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -51.96 -43.24 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.94 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -56.58 -38.85 72.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.49 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' OH ' ' NH1' ' B' ' 231' ' ' ARG . 51.4 t80 -62.41 -40.48 96.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.389 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.57 -40.57 87.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.656 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mm -58.78 -46.78 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' THR . 44.6 t-20 -62.86 -41.1 99.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' OE1' ' NH2' ' B' ' 231' ' ' ARG . 15.1 mm100 -57.44 -43.73 84.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.6 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.4 m -59.03 -42.84 91.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.439 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -87.12 -9.21 55.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.424 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' ASN . 73.1 p 49.51 -175.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.469 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.5 137.29 57.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.442 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -136.45 140.03 42.81 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.357 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.1 m 56.95 104.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.557 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -71.25 163.99 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.42 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.61 73.17 29.57 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.992 0.425 . . . . 1.0 110.543 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -59.89 146.92 94.57 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.788 2.326 . . . . 1.0 111.936 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.07 -88.02 0.01 OUTLIER Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.6 pt -133.46 155.95 41.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.328 . . . . 1.0 110.712 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -74.03 -76.94 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.389 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -165.37 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.598 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.12 94.44 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' GLU . 48.9 t 47.97 83.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 1.0 110.638 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 46.02 -94.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.565 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' CYS . 81.4 tt0 56.4 77.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.447 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.0 85.81 7.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.465 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.61 -30.39 64.25 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 72' ' ' TYR . 15.0 p -60.32 -26.47 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.616 0.246 . . . . 1.0 110.599 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -39.62 92.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.683 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -107.87 156.26 19.37 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.467 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.513 ' C ' ' H ' ' A' ' 75' ' ' LYS . 67.5 tp60 -65.65 -44.67 85.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.645 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.456 ' HE ' ' CA ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER 53.92 7.09 0.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.838 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' A' ' 73' ' ' GLN . 98.4 mttt 42.23 24.78 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.578 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' ARG . 50.3 tp -62.13 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.653 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -100.74 134.69 43.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.467 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -75.83 142.22 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -152.46 146.63 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.646 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.514 ' CD1' ' OXT' ' A' ' 80' ' ' TRP . 76.8 t-105 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.503 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' B' ' 201' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . 0.457 ' H ' ' CG ' ' B' ' 201' ' ' MET . 98.6 m-20 55.89 35.26 25.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.423 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 22.9 t -146.42 114.38 6.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.541 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.63 34.28 0.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.325 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -162.62 61.51 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.627 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 157.76 42.31 0.02 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 1.1 tt -102.61 114.0 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 120.969 0.414 . . . . 1.0 110.055 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 54.5 t0 59.46 73.82 0.47 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.537 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 85.4 mtp -82.03 138.09 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.363 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -50.35 119.4 7.15 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.633 -0.987 . . . . 1.0 110.633 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -97.47 120.59 38.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 1.0 110.52 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.74 150.2 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.53 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.52 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.8 mp -94.4 130.67 40.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.15 0.5 . . . . 1.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -111.85 131.48 55.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.345 -0.843 . . . . 1.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 44.7 p-10 -103.63 114.81 29.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.718 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 75.7 mt -134.14 137.68 44.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 217' ' ' SER . . . . . 0.516 ' OG ' ' SD ' ' A' ' 9' ' ' MET . 4.9 m -57.33 152.31 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.269 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . 0.556 HD21 ' N ' ' B' ' 219' ' ' GLU . 0.3 OUTLIER -63.3 -23.72 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.552 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . 0.556 ' N ' HD21 ' B' ' 218' ' ' ASN . 99.0 mt-10 -67.46 -35.67 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.538 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.39 -43.62 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.835 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.4 mt -53.01 -38.3 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.152 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.66 -46.84 77.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.931 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.92 -44.19 97.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.369 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.72 -37.5 86.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.388 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.51 -40.86 98.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.491 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.2 mt -79.05 -28.46 43.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.918 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 232' ' ' ASN . 14.5 tm-20 -62.62 -40.6 97.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.783 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.18 -42.28 87.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.171 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.18 -47.73 71.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.879 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.437 ' NH1' ' OH ' ' A' ' 46' ' ' TYR . 99.4 mtt180 -86.84 -32.51 20.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.598 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.481 ' C ' HD12 ' B' ' 233' ' ' LEU . 47.8 t30 70.72 37.9 1.32 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.644 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.481 HD12 ' C ' ' B' ' 232' ' ' ASN . 9.0 mp -115.23 157.18 44.39 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.53 141.62 95.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.482 2.122 . . . . 1.0 111.976 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 235' ' ' ARG . 34.0 ttm105 -60.18 -43.71 95.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.36 -40.94 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.192 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -66.23 -40.74 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.204 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.03 -44.36 89.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.603 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . 0.727 HD13 HD22 ' A' ' 14' ' ' LEU . 87.8 mt -68.22 -47.56 67.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.227 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.49 -43.56 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.94 -38.36 86.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.493 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.48 79.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.181 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.3 t -67.86 -52.69 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.274 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -50.95 -41.15 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.518 . . . . 1.0 109.6 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -62.24 -40.25 95.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.829 0.347 . . . . 1.0 110.417 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -62.53 -43.74 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.556 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.87 -45.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -66.71 -40.84 88.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.894 0.378 . . . . 1.0 110.319 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -83.82 21.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.504 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 22.6 t -92.73 -16.5 25.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.842 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -143.43 154.3 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.485 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 253' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 255' ' ' ARG . 26.3 m -145.52 89.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.506 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 49.08 -86.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.712 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' B' ' 253' ' ' THR . 12.4 tpt180 -157.17 -71.86 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 32.1 m 46.94 73.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.592 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 50.6 m -80.69 -51.12 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.3 m -85.39 151.01 55.65 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.722 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -43.04 131.33 6.04 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.511 2.141 . . . . 1.0 112.056 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' B' ' 262' ' ' TRP . . . -100.99 47.54 1.2 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 39.9 pt -75.03 36.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 1.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . 0.504 ' H ' ' C ' ' B' ' 260' ' ' GLY . 95.8 m95 -82.94 138.23 33.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.513 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 48.19 78.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.601 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -88.07 100.37 2.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 53.0 t -83.07 -42.34 17.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 1.0 110.615 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . 0.535 ' OE2' ' N ' ' B' ' 266' ' ' GLU . 58.1 mp0 -81.83 111.21 17.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.705 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.39 -37.76 80.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.497 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 47.3 t0 58.65 30.84 20.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.549 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' B' ' 271' ' ' GLU . . . 156.02 -168.47 33.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 16.6 t 57.81 -76.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.668 0.271 . . . . 1.0 110.595 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 269' ' ' GLY . 72.9 mm-40 54.0 35.17 21.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.569 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . 0.541 ' CE2' ' O ' ' B' ' 273' ' ' GLN . 76.2 t80 -135.84 149.27 49.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.412 . . . . 1.0 110.442 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . 0.562 ' CD ' ' H ' ' B' ' 273' ' ' GLN . 0.1 OUTLIER -97.83 143.57 28.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.361 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 273' ' ' GLN . 79.8 mtp85 56.35 156.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -142.54 126.44 17.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.528 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.56 ' N ' HD12 ' B' ' 276' ' ' LEU . 9.8 mp -93.59 126.21 38.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.993 0.425 . . . . 1.0 110.066 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 278' ' ' GLU . 72.1 ttp85 -79.43 -84.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.71 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' B' ' 277' ' ' ARG . 43.5 tp10 38.7 94.2 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.545 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.6 -42.93 98.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.666 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.663 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' A' ' 2' ' ' ASN . 49.4 p-10 -154.82 132.18 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.579 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -66.7 -19.87 65.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.2 mp -62.61 -42.02 99.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.438 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.44 144.24 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.456 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.95 138.11 10.15 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.718 -0.953 . . . . 1.0 110.718 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.476 ' O ' ' SD ' ' A' ' 9' ' ' MET . 84.2 mt -90.01 80.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 1.0 110.246 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.513 ' O ' ' ND2' ' B' ' 218' ' ' ASN . 66.3 t0 45.51 43.67 9.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.594 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.476 ' SD ' ' O ' ' A' ' 7' ' ' ILE . 20.9 mmm -79.38 174.33 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.077 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -118.24 -5.19 13.31 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' GLY . 60.9 ttp180 57.81 121.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.005 0.431 . . . . 1.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mm -131.98 143.87 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.546 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.6 mt -99.62 129.93 45.81 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.577 -0.738 . . . . 1.0 110.506 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 HD13 HD13 ' B' ' 239' ' ' LEU . 45.1 tp -125.2 133.75 52.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.75 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' B' ' 210' ' ' GLY . 64.2 t0 -111.49 113.87 26.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.996 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 mt -124.53 144.49 50.09 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -58.59 154.04 15.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.092 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.45 HD21 HG21 ' B' ' 207' ' ' ILE . 69.9 m-80 -64.81 -37.58 88.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.756 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -57.29 -36.63 71.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.612 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.75 -43.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.8 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.35 -37.99 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -64.53 -39.3 93.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -65.7 -49.03 70.02 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.001 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.47 -39.67 91.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -56.33 -47.66 78.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.448 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.03 -46.35 88.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 1.0 110.564 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.65 -34.86 72.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.934 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 69.2 tt0 -66.69 -41.97 87.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.881 0.372 . . . . 1.0 110.599 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.71 -44.23 89.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -61.19 -39.24 89.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.665 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.568 HH22 ' HE2' ' A' ' 41' ' ' GLU . 81.0 mtp180 -84.14 -4.83 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 18.9 p30 43.72 43.29 4.84 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.431 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.9 mt -134.7 152.85 78.36 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.55 145.56 98.56 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.515 2.143 . . . . 1.0 112.216 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' N ' ' OE2' ' A' ' 28' ' ' GLU . 80.8 ttt180 -63.63 -42.4 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.261 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -40.83 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.248 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.29 -38.64 91.77 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' NH1' ' A' ' 31' ' ' ARG . 99.3 mt -62.44 -44.11 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD13 HD13 ' B' ' 214' ' ' LEU . 90.6 mt -64.16 -43.73 94.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.021 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -57.28 -46.33 83.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.322 0.582 . . . . 1.0 110.125 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.568 ' HE2' HH22 ' A' ' 31' ' ' ARG . 96.2 mt-10 -69.55 -40.63 76.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.234 -0.894 . . . . 1.0 110.487 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.48 -48.77 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.56 -51.52 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.059 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -52.83 -48.02 67.29 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -64.1 -37.28 86.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.968 0.413 . . . . 1.0 110.245 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.618 ' CE2' ' NE2' ' A' ' 50' ' ' GLN . 49.3 t80 -61.52 -43.2 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.38 -39.95 92.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.658 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.492 ' O ' ' O ' ' A' ' 51' ' ' SER . 95.8 mt -61.45 -44.24 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.556 ' C ' ' H ' ' A' ' 51' ' ' SER . 51.3 t30 -61.5 -34.56 75.71 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 119.993 -0.683 . . . . 1.0 109.959 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.618 ' NE2' ' CE2' ' A' ' 46' ' ' TYR . 0.9 OUTLIER -70.09 39.65 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.635 -0.711 . . . . 1.0 109.851 179.175 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.556 ' H ' ' C ' ' A' ' 49' ' ' ASN . 1.1 t 83.78 -161.89 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 51' ' ' SER . 6.6 tt0 80.49 67.37 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 O-C-N 123.792 0.682 . . . . 1.0 110.731 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.44 ' O ' ' O ' ' A' ' 52' ' ' GLN . 27.2 m 53.38 107.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.472 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' ARG . . . -157.97 36.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.598 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 54' ' ' ALA . 2.1 mpt_? 56.34 157.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.305 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.8 p -91.17 162.88 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.331 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -151.22 -53.24 0.13 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.176 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.2 143.68 16.04 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.192 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -45.02 133.43 11.08 Favored 'Trans proline' 0 C--N 1.312 -1.353 0 C-N-CA 122.08 1.854 . . . . 1.0 112.153 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.21 125.69 38.39 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.722 -0.951 . . . . 1.0 110.722 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -99.11 110.57 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.79 0.329 . . . . 1.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.1 m-90 -90.4 -46.08 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.592 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.86 148.21 28.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.466 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.35 50.75 0.83 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.0 m 64.83 164.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 1.0 110.564 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 56.1 mp0 -77.24 139.46 39.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.501 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.6 mp0 -79.67 168.66 19.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.643 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.31 141.88 58.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.374 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.28 -19.53 0.47 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' CE2' ' A' ' 72' ' ' TYR . 35.0 m -134.59 33.9 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.82 0.343 . . . . 1.0 110.579 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 72' ' ' TYR . 17.4 pt-20 -74.27 -3.76 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.664 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.471 ' CE2' ' O ' ' A' ' 70' ' ' VAL . 68.3 m-85 59.01 145.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.557 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.567 ' CD ' ' H ' ' A' ' 73' ' ' GLN . 2.6 pm0 -45.65 173.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.454 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -90.92 9.88 28.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.619 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 54.98 84.77 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.668 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 76' ' ' LEU . 4.0 mm? -63.33 -41.85 98.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.596 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -81.94 143.45 31.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -129.09 133.26 47.6 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 53.25 97.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.492 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.518 ' CD2' ' O ' ' A' ' 80' ' ' TRP . 79.0 t90 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.426 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 50.9 ttp . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -81.97 148.48 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 50.5 m 54.47 101.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.568 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.612 ' N ' HD12 ' B' ' 204' ' ' LEU . 8.7 mp -75.86 142.63 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.377 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' B' ' 204' ' ' LEU . . . 71.36 -44.21 0.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' B' ' 204' ' ' LEU . . . 88.46 120.03 1.63 Allowed Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . 0.47 ' C ' ' H ' ' B' ' 209' ' ' MET . 4.3 mp -104.41 116.0 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 CA-C-O 121.262 0.553 . . . . 1.0 110.212 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -76.89 37.02 0.18 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.525 -0.762 . . . . 1.0 110.597 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' MET . . . . . 0.47 ' H ' ' C ' ' B' ' 207' ' ' ILE . 78.1 mtp 44.2 -164.23 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.421 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 15' ' ' ASP . . . -130.32 172.3 20.34 Favored Glycine 0 N--CA 1.465 0.583 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -123.84 129.91 51.77 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.861 0.362 . . . . 1.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.56 141.07 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.257 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.495 ' N ' HD12 ' B' ' 213' ' ' LEU . 11.3 mp -100.91 128.51 46.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.405 HD13 HD13 ' A' ' 39' ' ' LEU . 35.5 tp -124.05 134.68 53.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.538 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 43.4 p-10 -104.09 110.75 23.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.617 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.561 ' O ' ' O ' ' B' ' 217' ' ' SER . 53.6 mt -115.41 136.62 52.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.646 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 217' ' ' SER . . . . . 0.561 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.2 OUTLIER -50.46 -157.5 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.949 0.781 . . . . 1.0 110.07 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 84.6 m-20 -110.94 -38.52 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.847 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.97 -32.03 72.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.684 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 79.8 t -68.09 -42.94 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.807 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.18 -38.0 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -64.0 -39.47 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.35 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.81 -47.15 81.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.177 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.93 -42.54 99.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.654 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . 0.433 ' O ' HG21 ' B' ' 229' ' ' VAL . 50.2 t0 -62.17 -44.11 97.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -61.68 -44.21 97.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.605 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.3 mp -74.24 -28.75 61.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.612 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -68.7 -38.83 80.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.212 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . 0.433 HG21 ' O ' ' B' ' 225' ' ' ASP . 57.8 t -60.91 -43.99 96.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.57 -41.94 92.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 1.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.21 -30.0 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.618 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 60.59 45.34 10.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.33 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 14.8 mt -139.04 154.12 72.2 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.987 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.6 144.36 99.44 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.193 1.929 . . . . 1.0 111.968 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.2 ptt-85 -58.59 -42.34 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.386 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -50.05 -38.92 40.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.137 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -70.27 -41.14 73.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.1 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' B' ' 238' ' ' LEU . 96.4 mt -64.0 -42.53 97.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.46 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . 0.448 HD13 HD13 ' A' ' 14' ' ' LEU . 86.1 mt -63.63 -42.64 98.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.65 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.03 -42.32 98.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.262 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.29 -39.15 93.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.506 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.74 95.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.515 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.56 -52.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.638 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -53.63 -45.67 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.088 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.64 -42.59 71.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.519 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . 0.549 ' OH ' ' NH1' ' A' ' 31' ' ' ARG . 81.9 t80 -63.54 -42.59 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.041 0.448 . . . . 1.0 110.639 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.6 -38.13 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.781 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.74 -43.91 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.075 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . 0.574 ' C ' ' H ' ' B' ' 251' ' ' SER . 39.7 t-20 -65.96 -40.52 91.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.85 0.357 . . . . 1.0 110.454 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -73.21 22.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.581 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.574 ' H ' ' C ' ' B' ' 249' ' ' ASN . 85.7 p -150.04 -5.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.005 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' B' ' 251' ' ' SER . 82.3 mt-30 57.11 147.27 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.872 0.367 . . . . 1.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 21.1 p -112.26 -32.67 6.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.444 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -165.19 58.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 53.8 77.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.652 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 21.5 p -152.93 27.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.525 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 6.7 t -62.43 -47.08 85.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 6.8 t -147.11 76.85 11.13 Favored Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.642 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -61.53 146.34 97.06 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.921 2.414 . . . . 1.0 111.526 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 116.89 85.77 1.16 Allowed Glycine 0 N--CA 1.463 0.498 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . 0.408 HG23 ' O ' ' B' ' 261' ' ' ILE . 9.6 tp -134.84 132.32 53.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.731 0.301 . . . . 1.0 110.395 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 40.4 p90 -98.41 138.34 35.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.424 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -108.57 134.62 51.09 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -161.53 163.94 34.83 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 11.2 t -149.16 -51.58 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.78 0.324 . . . . 1.0 110.486 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 45.48 85.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.406 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -93.98 69.31 3.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.386 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' B' ' 270' ' ' VAL . 67.3 t0 -139.72 -36.86 0.5 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.514 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 270' ' ' VAL . . . 79.29 -37.76 2.01 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' B' ' 269' ' ' GLY . 44.1 t 52.74 107.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.856 0.36 . . . . 1.0 110.514 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' B' ' 272' ' ' TYR . 57.1 tt0 -165.55 -127.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.244 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' B' ' 271' ' ' GLU . 88.0 m-85 -158.84 46.74 0.31 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.775 0.322 . . . . 1.0 110.448 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -73.85 130.95 40.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' B' ' 274' ' ' ARG . 0.0 OUTLIER -80.66 -169.33 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.681 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -75.07 54.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.217 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.57 HD23 ' N ' ' B' ' 276' ' ' LEU . 3.7 mm? 54.6 176.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.37 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -140.53 63.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.532 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -158.88 -22.32 0.07 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.518 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 55.39 72.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.582 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 91.0 t90 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.534 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.4 mtm . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -61.94 -42.01 98.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.543 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -74.9 143.13 43.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.545 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.4 mt -110.13 124.53 51.69 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.022 0.439 . . . . 1.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.75 15.89 10.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.538 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.99 -23.87 62.13 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -89.7 101.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.993 0.425 . . . . 1.0 110.478 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 9' ' ' MET . 67.0 t0 -172.9 56.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.727 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' ASP . 80.7 mtp 47.18 -177.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.47 135.39 8.28 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.728 -0.949 . . . . 1.0 110.728 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -89.93 138.82 31.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.986 0.422 . . . . 1.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' C ' HD12 ' A' ' 13' ' ' LEU . 66.5 mt -136.34 146.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 1.0 110.26 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.8 mp -100.28 131.77 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.381 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -124.01 130.16 52.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.634 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.449 ' C ' HD23 ' A' ' 16' ' ' LEU . 83.0 m-20 -103.55 125.87 50.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.693 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 15' ' ' ASP . 4.3 mm? -108.07 -177.75 3.42 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.639 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.84 6.12 29.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 76.32 -54.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.458 0.474 . . . . 1.0 110.699 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -27.68 65.83 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.171 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.96 -41.13 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.223 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -51.68 -36.98 19.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.05 -37.38 85.7 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -63.59 -49.33 73.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.194 0.521 . . . . 1.0 109.689 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.0 mt -64.85 -34.38 78.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.76 -41.95 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.19 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -62.38 -36.77 83.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 1.0 110.309 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.92 -28.01 55.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.61 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 33' ' ' LEU . 13.6 tm-20 -67.27 -40.06 86.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.87 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.37 -49.9 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.799 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.06 -42.46 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.367 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.654 ' NH2' HE22 ' B' ' 250' ' ' GLN . 81.0 mmt-85 -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.848 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.05 43.18 30.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 14.8 mt -138.07 153.97 73.8 Favored Pre-proline 0 C--O 1.22 -0.481 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.811 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.35 149.29 82.1 Favored 'Trans proline' 0 C--N 1.301 -1.926 0 C-N-CA 122.799 2.333 . . . . 1.0 112.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.77 -48.78 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.477 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -41.84 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.395 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.03 -40.22 94.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.793 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -41.75 97.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.751 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.35 -48.41 79.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -57.95 -44.08 86.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.318 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.38 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.592 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.0 71.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.445 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.57 -53.79 40.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -51.73 -50.57 60.31 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -61.66 -41.55 97.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.575 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.85 -45.4 94.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.454 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.42 -42.15 98.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.633 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.14 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -64.45 -40.37 95.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.216 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.6 -43.2 99.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.58 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.3 m -58.15 -36.02 72.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.413 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -59.82 -50.65 72.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.66 -179.74 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.6 m -66.23 -46.41 77.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.566 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.79 94.37 9.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.533 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -105.94 -83.14 0.52 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.628 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.52 -1.7 2.52 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.463 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' VAL . 2.0 m 49.38 26.68 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 57' ' ' SER . 20.3 t 60.22 135.3 0.03 OUTLIER Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.612 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.19 142.26 33.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.718 2.279 . . . . 1.0 112.435 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.83 172.62 43.35 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -107.94 114.67 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.058 0.456 . . . . 1.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -96.44 -21.04 17.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.575 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -80.47 84.86 6.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.488 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.71 171.64 55.14 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.5 m -86.84 100.88 12.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.854 0.359 . . . . 1.0 110.441 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.41 -38.08 80.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.443 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -126.21 129.26 48.63 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.986 0.422 . . . . 1.0 110.453 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -92.59 4.26 53.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.59 162.8 29.16 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 p -139.59 140.02 37.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.892 0.377 . . . . 1.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -157.83 139.6 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.576 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -73.91 -108.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.479 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 43.61 70.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.434 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -83.48 139.81 32.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.574 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -80.18 140.05 36.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.604 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 76' ' ' LEU . 7.9 mp -75.82 -105.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.429 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -76.69 -59.09 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.602 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 39.63 79.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.691 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -79.39 -94.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.51 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.3 m95 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.536 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 94.7 mtp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -138.4 84.55 2.03 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 10.6 m -152.95 -39.58 0.1 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.454 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.598 HD23 ' N ' ' B' ' 204' ' ' LEU . 3.8 mm? -74.6 139.31 43.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.673 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -56.51 139.35 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.526 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' B' ' 208' ' ' ASP . . . -87.6 -162.36 37.79 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 67.2 mt -65.85 75.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 1.0 110.349 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' B' ' 206' ' ' GLY . 89.8 m-20 -119.76 14.27 12.52 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.496 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 80.1 mtp -105.96 119.92 40.43 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.514 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -55.73 174.2 1.14 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.702 -0.959 . . . . 1.0 110.702 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -133.74 129.9 37.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.884 0.373 . . . . 1.0 110.494 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 76.1 mt -132.79 143.47 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.249 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.548 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.3 mp -93.13 132.11 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.326 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.426 HD22 HD11 ' B' ' 216' ' ' LEU . 54.7 tp -124.05 131.33 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.551 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 43.5 p-10 -114.73 111.27 21.01 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.654 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.426 HD11 HD22 ' B' ' 214' ' ' LEU . 52.0 mt -121.47 148.57 44.27 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.664 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.9 m -66.72 155.68 37.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.445 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -60.21 -40.0 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -57.75 -36.43 72.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.524 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.26 -42.27 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.88 -39.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.43 -35.82 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.41 -49.02 68.17 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.151 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.43 -39.69 94.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.486 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -52.38 -44.01 65.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.221 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.65 -40.7 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.387 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.39 -29.27 61.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.586 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' B' ' 232' ' ' ASN . 14.2 tm-20 -68.8 -41.34 78.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.762 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.38 -50.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.739 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.01 -42.21 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 26.2 mmt180 -80.59 -16.67 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' B' ' 228' ' ' GLU . 12.5 p30 43.56 51.69 6.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.586 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.7 mt -139.7 153.79 70.46 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.895 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.19 148.39 78.64 Favored 'Trans proline' 0 C--N 1.3 -1.982 0 C-N-CA 122.773 2.315 . . . . 1.0 112.279 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -60.91 -49.14 78.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.79 11.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.317 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -65.07 -39.84 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.655 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' B' ' 238' ' ' LEU . 95.6 mt -63.41 -45.42 91.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.481 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' B' ' 239' ' ' LEU . 99.4 mt -66.01 -46.67 77.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.091 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -56.71 -46.41 81.27 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.088 0.471 . . . . 1.0 110.205 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -67.25 -37.28 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.675 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.36 85.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.59 -53.37 39.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -52.34 -50.73 61.74 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.999 0.428 . . . . 1.0 109.984 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -55.92 -43.89 77.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.456 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -60.52 -41.01 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.7 mt -61.17 -42.59 98.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.78 -46.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.371 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.68 -40.14 96.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . 0.654 HE22 ' NH2' ' A' ' 31' ' ' ARG . 3.6 mm100 -65.4 -43.51 90.38 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.536 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 25.9 t -170.29 103.75 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.625 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.74 -40.09 94.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.479 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 59.7 p -94.29 119.08 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.429 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -179.25 -5.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.46 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -101.0 41.79 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.323 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 79.2 m -107.09 114.12 27.99 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.945 0.403 . . . . 1.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 21.4 p -86.88 169.59 12.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.594 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 5.4 t 62.18 60.43 2.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.533 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.19 -18.55 50.89 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.741 2.294 . . . . 1.0 112.056 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 84.72 112.43 0.66 Allowed Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 37.2 pt -130.82 145.57 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.901 0.381 . . . . 1.0 110.526 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -150.59 157.45 43.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.417 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -154.4 156.97 37.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.539 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' B' ' 265' ' ' CYS . . . 82.12 -123.34 6.03 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' B' ' 264' ' ' GLY . 6.0 m 61.22 139.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 1.0 110.507 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -153.3 -59.06 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.544 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -65.22 138.69 58.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.654 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -63.37 -42.03 98.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.538 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' B' ' 270' ' ' VAL . . . 153.11 86.98 0.06 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.916 -0.873 . . . . 1.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' B' ' 269' ' ' GLY . 4.3 t 59.11 143.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 1.0 110.607 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . 0.492 ' CD ' ' N ' ' B' ' 271' ' ' GLU . 0.9 OUTLIER -153.78 106.93 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.414 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -107.22 103.93 13.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.442 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -166.72 170.28 12.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.53 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -138.98 137.93 36.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.588 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -86.45 144.02 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 68.4 mt -67.48 154.75 40.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.605 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -58.69 139.85 55.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.405 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' B' ' 278' ' ' GLU . 57.2 mp0 -70.53 137.71 50.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.668 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -67.51 -39.47 85.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.494 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 90.3 t90 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.506 -179.863 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptt? . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.106 -0.701 . . . . 1.0 109.106 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' A' ' 3' ' ' SER . 3.1 m-20 -93.98 17.27 12.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.51 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.6 p 74.81 11.4 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.46 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 75.6 mt 44.44 19.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 3' ' ' SER . . . 64.95 135.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.61 -101.69 0.35 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.723 -0.951 . . . . 1.0 110.723 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.5 mt -108.4 111.15 34.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.992 0.425 . . . . 1.0 110.266 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 8' ' ' ASP . 22.2 p-10 -153.8 66.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.539 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.1 mtp -70.65 126.43 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.13 139.21 25.62 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -84.82 139.02 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 1.0 110.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.05 134.97 53.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.23 121.95 37.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.3 tp -101.75 121.92 42.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.909 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 15' ' ' ASP . 45.8 p-10 -99.86 119.21 37.83 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.95 0.405 . . . . 1.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -151.14 147.79 27.48 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.84 0.829 . . . . 1.0 110.45 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -59.86 156.74 13.68 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.723 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' B' ' 208' ' ' ASP . 74.2 m-80 -68.33 -30.05 68.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.749 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -58.76 -33.73 70.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.92 -45.11 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.683 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' ASP . 74.5 mt -52.8 -36.53 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.549 -0.538 . . . . 1.0 109.549 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.43 -44.15 95.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.778 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.58 -46.96 71.13 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.881 -0.6 . . . . 1.0 109.875 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 24' ' ' LEU . 2.1 tp -65.0 -51.27 62.62 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.784 0.802 . . . . 1.0 109.614 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ILE . 17.6 t0 -51.6 -46.17 63.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.067 -0.97 . . . . 1.0 110.259 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.554 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 31.2 t70 -60.7 -37.23 80.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.435 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 HD22 HE21 ' B' ' 250' ' ' GLN . 46.5 tp -66.74 -36.7 83.08 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 110.112 -0.329 . . . . 1.0 110.112 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 66.7 tt0 -62.55 -38.43 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.889 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.739 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -64.79 -40.69 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 1.0 110.726 -179.646 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.672 ' NH2' HE22 ' B' ' 250' ' ' GLN . 16.7 mmt85 -77.81 -9.45 59.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.602 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 4.7 p-10 44.3 42.51 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.375 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 mt -137.33 154.67 75.65 Favored Pre-proline 0 N--CA 1.463 0.215 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.589 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.67 144.31 97.89 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.391 2.061 . . . . 1.0 111.919 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.607 HH11 HD11 ' A' ' 39' ' ' LEU . 47.6 ttp85 -61.44 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.661 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.28 -40.41 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.286 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -66.5 -39.01 88.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.828 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 mt -65.37 -43.34 91.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.031 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.607 HD11 HH11 ' A' ' 35' ' ' ARG . 81.6 mt -63.34 -43.48 97.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -61.96 -43.7 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.304 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -66.29 -42.55 88.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.869 0.366 . . . . 1.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.28 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.81 -51.27 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 1.0 110.367 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -54.44 -46.68 73.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.079 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -57.42 -42.39 82.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.468 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.21 -41.85 99.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.469 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.682 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.24 -44.08 97.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.105 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.569 ' C ' ' H ' ' A' ' 51' ' ' SER . 48.2 t30 -65.66 -39.77 91.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.409 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -72.22 25.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.837 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.569 ' H ' ' C ' ' A' ' 49' ' ' ASN . 7.9 t -132.15 -45.35 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.443 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -169.89 -83.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 m 51.45 98.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.529 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.94 -15.75 5.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.55 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -58.05 108.19 0.56 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.395 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m -89.34 6.63 39.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.354 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -57.4 140.62 49.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.343 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 m -152.5 58.65 2.6 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.263 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.98 112.48 3.3 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.688 2.259 . . . . 1.0 111.862 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.34 -121.29 1.23 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.1 mt 57.14 74.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 1.0 110.363 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.406 ' HB2' ' HE2' ' A' ' 79' ' ' GLU . 52.5 p-90 -90.22 -17.57 27.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.656 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -63.96 -42.58 97.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.65 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.52 -143.99 47.78 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.141 -0.784 . . . . 1.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.8 p -167.51 -22.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 1.0 110.68 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 55.19 168.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.522 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -151.19 -24.12 0.21 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -77.32 171.1 15.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.562 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.98 142.84 43.74 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.9 t -90.01 131.33 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.794 0.331 . . . . 1.0 110.453 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -152.0 115.37 4.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.559 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 40.29 78.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.829 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.85 -36.72 82.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.519 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -68.47 145.75 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.614 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.4 tttp 52.1 45.18 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.487 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.567 HD13 ' N ' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -142.44 125.62 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.978 0.418 . . . . 1.0 110.299 179.649 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.567 ' N ' HD13 ' A' ' 76' ' ' LEU . 5.5 tpt180 74.14 -44.82 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.385 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 76' ' ' LEU . 40.7 tp10 46.14 92.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.264 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' HE2' ' HB2' ' A' ' 62' ' ' TRP . 82.9 tt0 -50.14 92.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.498 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLU . 65.4 p-90 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.619 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -63.81 -39.88 95.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.585 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 37.5 m -68.2 -16.04 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.728 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 74.2 mt 44.51 25.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.556 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 59.22 -157.47 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.35 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -143.18 140.78 9.95 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 15.9 mm -89.54 73.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 1.0 110.269 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.502 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 75.7 m-20 -96.56 7.13 47.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.634 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 71.8 mtp -83.06 -179.48 7.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.026 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -127.62 40.17 1.8 Allowed Glycine 0 N--CA 1.462 0.376 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -40.82 154.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.782 0.325 . . . . 1.0 110.786 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.43 HG22 ' N ' ' B' ' 213' ' ' LEU . 50.8 mt -138.58 155.85 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.372 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.43 ' N ' HG22 ' B' ' 212' ' ' ILE . 7.1 mt -91.84 138.83 31.23 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 34.9 tp -138.81 142.66 38.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.178 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.489 ' C ' HD12 ' B' ' 216' ' ' LEU . 0.9 OUTLIER -116.5 125.85 52.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 1.0 110.676 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.607 ' O ' ' O ' ' B' ' 217' ' ' SER . 9.8 mp -119.36 144.96 46.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.169 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 217' ' ' SER . . . . . 0.607 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.3 OUTLIER -49.26 -154.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 124.235 0.96 . . . . 1.0 110.023 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . 0.409 ' OD1' ' OD2' ' A' ' 8' ' ' ASP . 8.0 m120 -112.07 -40.2 4.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.502 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.71 -32.11 71.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.18 -42.97 79.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.959 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.78 -36.12 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -65.98 -41.13 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.345 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -61.97 -45.57 93.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.002 -0.544 . . . . 1.0 109.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.42 -41.61 98.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.442 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.09 -47.06 86.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.422 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.45 -45.81 92.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.914 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.12 -36.29 82.76 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 235' ' ' ARG . 66.3 tt0 -67.57 -40.12 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.77 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.13 -44.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.78 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.65 -40.64 92.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 1.0 110.744 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.474 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.1 mmm180 -68.87 -36.35 77.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.689 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.51 43.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.175 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.594 ' O ' HD12 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -149.32 158.99 37.71 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-O 120.788 0.328 . . . . 1.0 110.118 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.87 142.79 99.26 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.328 2.018 . . . . 1.0 112.009 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.525 ' N ' ' OE1' ' B' ' 228' ' ' GLU . 34.6 ptt180 -61.06 -40.97 95.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.161 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.86 -38.88 23.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.024 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -66.05 -38.33 88.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.654 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -42.23 91.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.9 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.358 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.144 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.75 -41.36 83.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.498 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.16 87.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.929 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.44 -50.72 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.383 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.59 -46.08 73.71 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.567 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -63.82 -39.92 95.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.501 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . 0.524 ' HH ' HH12 ' A' ' 31' ' ' ARG . 60.2 t80 -61.51 -42.75 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.508 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.85 -40.5 95.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.729 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.52 -44.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.021 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -65.57 -39.62 91.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.518 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . 0.672 HE22 ' NH2' ' A' ' 31' ' ' ARG . 14.0 mm100 -62.07 -41.24 97.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.748 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 251' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' B' ' 251' ' ' SER . 10.4 t -113.93 55.77 0.72 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.383 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -72.02 131.99 43.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.251 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 253' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' B' ' 253' ' ' THR . 0.0 OUTLIER -147.28 8.62 0.93 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' B' ' 256' ' ' THR . . . -66.81 156.68 34.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.593 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' B' ' 256' ' ' THR . 67.7 ttp85 -55.29 -10.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.354 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 256' ' ' THR . . . . . 0.43 ' H ' ' C ' ' B' ' 254' ' ' ALA . 0.7 OUTLIER 75.78 109.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.565 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 41.7 t -75.56 176.83 7.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.462 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . 0.431 ' N ' ' CD ' ' B' ' 259' ' ' PRO . 3.8 t 62.08 54.47 2.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.583 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' B' ' 258' ' ' VAL . 38.7 Cg_endo -66.5 144.2 72.14 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.729 2.286 . . . . 1.0 112.094 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 58.65 -128.21 47.1 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 94.5 mt 50.91 93.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.699 0.285 . . . . 1.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -78.88 80.96 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.428 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -65.48 -37.1 85.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.47 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' B' ' 266' ' ' GLU . . . -55.24 157.1 7.97 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . 0.443 ' O ' ' O ' ' B' ' 266' ' ' GLU . 2.3 t 72.13 -39.23 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.661 0.267 . . . . 1.0 110.426 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . 0.541 ' H ' ' C ' ' B' ' 264' ' ' GLY . 97.1 mt-10 55.96 158.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.389 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -92.36 141.68 28.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.073 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . 0.455 ' O ' ' OD1' ' B' ' 268' ' ' ASP . 53.6 p30 -128.23 150.69 49.92 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.448 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 140.28 37.15 0.11 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 35.4 m -98.58 -4.82 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.703 0.287 . . . . 1.0 110.677 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -104.34 119.53 39.16 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.132 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' B' ' 274' ' ' ARG . 32.5 p90 -94.22 -153.35 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.18 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . 0.46 ' N ' ' CD2' ' B' ' 272' ' ' TYR . 5.6 tp-100 63.83 -71.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' B' ' 272' ' ' TYR . 16.4 ptm180 -53.5 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.564 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -61.51 126.66 28.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.244 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.444 ' CG ' ' H ' ' B' ' 277' ' ' ARG . 0.1 OUTLIER -90.34 -91.7 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.164 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . 0.444 ' H ' ' CG ' ' B' ' 276' ' ' LEU . 44.4 ttm180 -137.57 128.51 27.32 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.503 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 44.41 -168.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.525 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' B' ' 280' ' ' TRP . 80.4 mm-40 -138.63 141.85 39.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.434 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' B' ' 279' ' ' GLU . 76.0 t-105 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.472 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.92 10.36 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.493 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t 55.72 -173.09 0.06 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 6' ' ' GLY . 13.6 tp -90.96 126.86 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.451 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.98 -82.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.494 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . 164.21 114.16 0.3 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.811 -0.915 . . . . 1.0 110.811 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.8 mm -92.96 93.8 4.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 1.0 110.391 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -138.08 35.21 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.414 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 ptm -54.35 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.546 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.4 164.69 15.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 11' ' ' ARG . 46.8 ttm105 -138.94 132.96 31.18 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.167 -0.308 . . . . 1.0 110.167 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.544 HG22 ' N ' ' A' ' 13' ' ' LEU . 42.8 mm -130.66 161.04 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' N ' HG22 ' A' ' 12' ' ' ILE . 62.1 mt -108.01 140.73 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.045 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 tp -121.97 128.75 51.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.586 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -101.07 115.59 30.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.75 -179.04 4.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.211 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.5 OUTLIER -112.15 7.37 19.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.853 -179.327 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 77.81 -43.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.372 0.42 . . . . 1.0 110.11 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 17' ' ' SER . 85.5 tt0 -66.56 -31.94 72.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.364 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.45 -39.41 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.539 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.1 mt -54.98 -39.96 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -63.49 -38.91 92.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.018 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.02 -49.36 70.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.115 0.483 . . . . 1.0 109.729 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' GLU . 69.2 mt -64.14 -36.84 85.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.494 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -56.1 -43.79 78.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.416 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' HG12 ' A' ' 29' ' ' VAL . 44.1 t0 -61.73 -37.12 83.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.232 0.539 . . . . 1.0 110.29 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 mt -83.65 -27.71 28.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.079 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 33' ' ' LEU . 4.9 tm-20 -78.18 -41.02 35.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.134 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 30' ' ' GLN . 9.7 p -56.38 -48.4 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.024 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.598 ' N ' HG13 ' A' ' 29' ' ' VAL . 88.0 mt-30 -60.41 -42.04 95.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.966 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.444 HH21 HE22 ' B' ' 250' ' ' GLN . 95.6 mtt-85 -78.44 -15.55 58.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.682 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' GLU . 20.6 p30 44.03 50.26 7.3 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.379 0.424 . . . . 1.0 110.651 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.504 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 16.3 mt -137.37 154.51 75.46 Favored Pre-proline 0 N--CA 1.463 0.191 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.804 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.515 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 18.3 Cg_endo -59.32 144.71 99.31 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.395 2.064 . . . . 1.0 112.431 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.03 -40.13 96.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.484 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.0 -45.24 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.313 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -65.81 -39.49 90.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.557 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 38' ' ' LEU . 92.7 mt -65.18 -41.64 94.39 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.369 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -45.75 88.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.606 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -59.97 -42.96 95.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.139 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -63.5 -38.54 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.78 93.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.281 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.42 -52.94 45.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.008 0.432 . . . . 1.0 110.075 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -52.61 -49.62 64.73 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.853 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -60.89 -40.75 94.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -62.76 -44.13 97.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.55 -41.76 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.625 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -61.79 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.21 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.56 ' C ' ' H ' ' A' ' 51' ' ' SER . 29.3 t-20 -65.68 -39.5 91.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.051 0.453 . . . . 1.0 110.426 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.422 ' O ' ' OG ' ' A' ' 51' ' ' SER . 19.8 mm100 -73.31 32.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.715 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.56 ' H ' ' C ' ' A' ' 49' ' ' ASN . 2.5 p 77.16 129.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.392 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 54' ' ' ALA . 56.2 tt0 -164.25 -42.74 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.741 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.4 p 48.87 -86.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.797 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -54.16 133.29 44.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.397 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.9 mtm-85 -96.34 8.4 44.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m 53.87 88.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.202 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.641 ' O ' ' O ' ' A' ' 58' ' ' VAL . 87.2 p -89.42 5.5 44.96 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 118.856 -0.592 . . . . 1.0 110.868 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.641 ' O ' ' O ' ' A' ' 57' ' ' SER . 20.6 m 45.18 149.52 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 124.494 1.121 . . . . 1.0 111.855 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.05 131.11 8.42 Favored 'Trans proline' 0 C--N 1.295 -2.256 0 C-N-CA 121.147 1.232 . . . . 1.0 112.117 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.03 -75.9 1.04 Allowed Glycine 0 N--CA 1.465 0.633 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.469 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.8 tt -109.85 124.56 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.973 0.416 . . . . 1.0 110.512 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.543 ' O ' ' N ' ' A' ' 64' ' ' GLY . 1.0 OUTLIER -173.64 -151.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.61 179.66 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 48.96 -87.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.337 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 62' ' ' TRP . . . 87.39 9.94 71.75 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 95.6 m -148.55 155.86 41.68 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.753 0.311 . . . . 1.0 110.38 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -146.32 -3.62 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.515 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.51 -46.34 80.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.617 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 69' ' ' GLY . 68.2 t0 41.64 -116.91 0.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.623 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.444 ' H ' ' CG ' ' A' ' 68' ' ' ASP . . . 160.11 83.78 0.05 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.855 -0.898 . . . . 1.0 110.855 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.44 -45.3 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.346 . . . . 1.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -143.67 -27.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.649 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.535 ' CD2' ' O ' ' A' ' 72' ' ' TYR . 68.3 t80 54.61 42.8 31.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 1.0 110.416 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.6 90.32 7.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.422 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 41.79 62.48 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.777 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' LEU . 29.3 mmtp -63.52 -40.89 98.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.744 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 77' ' ' ARG . 85.7 mt -48.6 -101.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.428 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 76' ' ' LEU . 85.5 mtp180 57.04 124.48 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.026 0.441 . . . . 1.0 110.767 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.29 139.71 58.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.546 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -150.4 114.34 5.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.502 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.444 ' N ' ' CD1' ' A' ' 80' ' ' TRP . 5.7 m0 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.009 -0.996 . . . . 1.0 110.592 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' B' ' 202' ' ' ASN . 20.3 p30 42.24 41.72 2.24 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.595 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' SER . . . . . 0.444 ' O ' ' O ' ' B' ' 204' ' ' LEU . 6.0 m -87.52 126.48 34.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.257 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . 0.553 HD23 ' N ' ' B' ' 204' ' ' LEU . 3.8 mm? 47.56 101.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.779 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 52.43 -155.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.153 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 97.43 -91.98 1.26 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 91.5 mt -111.94 117.63 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-O 120.992 0.425 . . . . 1.0 110.228 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.456 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 38.7 t70 -127.76 26.92 5.82 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.686 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 73.6 mmm -105.04 117.04 32.99 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.173 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.24 168.1 7.11 Favored Glycine 0 C--O 1.225 -0.416 0 N-CA-C 110.393 -1.083 . . . . 1.0 110.393 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -135.19 116.59 14.64 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 110.269 -0.271 . . . . 1.0 110.269 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.1 mm -118.91 147.16 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.463 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.614 ' N ' HD12 ' B' ' 213' ' ' LEU . 9.9 mp -94.67 133.12 38.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.16 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.4 tp -117.7 127.33 53.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 215' ' ' ASP . 44.1 p-10 -94.01 118.33 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.78 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.28 -167.12 1.64 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.074 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.0 m -133.38 154.35 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.283 0.364 . . . . 1.0 110.297 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.15 -36.01 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.26 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.37 -37.79 88.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.514 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.09 -41.74 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.564 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.73 -39.09 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.04 -40.0 94.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.369 -0.378 . . . . 1.0 109.992 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.8 -49.06 77.84 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.108 0.48 . . . . 1.0 109.746 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.02 -37.4 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.589 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -59.23 -40.88 87.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.972 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.38 -39.61 93.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 1.0 110.234 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.41 -28.83 61.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.441 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.678 ' HE2' ' HA ' ' B' ' 235' ' ' ARG . 4.2 tp10 -69.21 -38.76 78.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 1.0 110.848 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 77.0 t -63.39 -51.53 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.094 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -62.02 -40.89 97.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.294 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.554 ' HB3' HD23 ' B' ' 233' ' ' LEU . 19.5 mmt180 -77.58 -28.14 51.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.69 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' B' ' 228' ' ' GLU . 17.1 t-20 52.23 53.02 13.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.424 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.767 ' O ' HD21 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -148.64 159.76 37.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.06 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.78 144.73 99.6 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.792 2.328 . . . . 1.0 112.729 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.678 ' HA ' ' HE2' ' B' ' 228' ' ' GLU . 81.1 mtp180 -62.06 -42.32 99.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.172 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.19 -40.29 15.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.96 -39.1 92.97 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.502 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.591 ' HG ' HD22 ' B' ' 233' ' ' LEU . 38.7 mt -65.68 -40.64 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.862 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.27 -47.45 85.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.88 -44.52 86.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -68.25 -38.0 81.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.53 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.08 78.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.452 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.41 -53.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.028 0.442 . . . . 1.0 110.178 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.46 -47.79 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 1.0 109.935 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -61.46 -40.38 94.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.633 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.32 -44.43 97.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.1 mt -61.1 -41.94 97.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.613 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.4 -46.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.112 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -64.39 -40.08 95.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.246 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . 0.444 HE22 HH21 ' A' ' 31' ' ' ARG . 17.7 mm100 -58.53 -42.33 87.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 6.2 t -57.57 -42.63 83.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.337 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.16 -36.8 85.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.664 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 12.3 m -74.86 80.44 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.454 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -172.89 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.648 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -65.06 -43.46 92.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.505 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 48.6 p -134.03 50.06 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.225 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 257' ' ' SER . . . . . 0.437 ' O ' ' O ' ' B' ' 258' ' ' VAL . 78.0 p -62.94 -52.43 63.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.273 0.558 . . . . 1.0 110.737 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 257' ' ' SER . 20.9 t 59.12 137.57 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.416 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.5 144.25 52.12 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.445 2.097 . . . . 1.0 112.184 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 168.2 96.8 0.11 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . 0.527 ' C ' ' H ' ' B' ' 263' ' ' GLN . 5.0 mp -115.2 127.77 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 121.009 0.433 . . . . 1.0 110.452 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . 0.601 ' C ' ' H ' ' B' ' 264' ' ' GLY . 99.1 m95 -76.14 30.45 0.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.505 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . 0.527 ' H ' ' C ' ' B' ' 261' ' ' ILE . 45.3 tt0 63.77 -8.42 0.17 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.478 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . 0.601 ' H ' ' C ' ' B' ' 262' ' ' TRP . . . 60.36 148.78 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.731 -0.947 . . . . 1.0 110.731 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 98.3 m -141.23 146.56 37.03 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.84 0.352 . . . . 1.0 110.48 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 50.42 94.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.644 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.78 -41.74 95.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 55.41 36.49 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.642 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -88.61 -3.03 78.27 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . 0.424 ' O ' ' CD2' ' B' ' 272' ' ' TYR . 34.8 m -85.4 10.6 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 1.0 110.548 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.0 -34.35 76.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.511 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . 0.424 ' CD2' ' O ' ' B' ' 270' ' ' VAL . 59.0 m-85 46.12 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.586 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . 0.511 ' N ' ' NH1' ' B' ' 274' ' ' ARG . 77.0 mt-30 45.45 84.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.466 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . 0.657 ' H ' ' NE ' ' B' ' 274' ' ' ARG . 0.0 OUTLIER -63.32 -42.49 99.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.65 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 276' ' ' LEU . 21.5 pttp -151.71 -20.5 0.19 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.679 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 275' ' ' LYS . 44.9 tp 57.09 117.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.666 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -78.45 144.62 35.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.715 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -81.15 -170.52 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.545 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -66.08 -40.15 90.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.493 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 98.4 m95 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.532 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -58.5 -83.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.467 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' OG ' ' A' ' 3' ' ' SER . 7.1 t 55.66 23.01 5.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.439 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.84 135.01 33.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.436 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 6' ' ' GLY . . . -97.29 132.73 42.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.408 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . 49.05 101.73 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 96.4 mt -96.37 111.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.058 0.456 . . . . 1.0 110.273 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' OD2' ' O ' ' A' ' 7' ' ' ILE . 92.8 m-20 -136.19 76.95 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.614 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.6 mtp -64.66 116.57 6.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.443 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.24 -170.78 24.04 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -125.76 137.06 53.78 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.848 0.356 . . . . 1.0 110.21 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.3 150.79 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.157 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.597 ' C ' HD21 ' A' ' 13' ' ' LEU . 4.9 tt -107.48 115.88 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.061 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.589 ' N ' HD21 ' A' ' 13' ' ' LEU . 53.6 tp -110.53 131.0 55.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.496 ' HD2' HD22 ' A' ' 13' ' ' LEU . 72.8 m-20 -116.55 120.77 39.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.445 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.3 mt -123.88 145.74 48.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 m -60.67 152.01 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.242 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -60.54 -33.51 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.294 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.86 -36.75 70.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.23 -42.36 81.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.685 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.98 -42.22 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.8 -42.9 99.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.43 -45.67 65.41 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.74 -45.23 90.82 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 120.856 0.36 . . . . 1.0 110.123 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.46 -48.58 81.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.43 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.79 -43.94 90.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.514 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.659 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' OE2' ' O ' ' A' ' 33' ' ' LEU . 14.8 tm-20 -65.51 -40.74 93.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -72.56 -32.4 41.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.825 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -57.22 -48.46 78.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -92.24 -14.74 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.744 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.9 m120 60.15 28.45 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.661 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 5.7 mp -110.88 155.86 41.7 Favored Pre-proline 0 C--O 1.223 -0.317 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.27 147.08 94.1 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.632 2.222 . . . . 1.0 112.134 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -61.36 -42.71 99.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.732 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.19 -38.95 27.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.288 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.82 -41.69 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.422 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.71 -44.56 89.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.49 -45.05 85.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.985 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -56.32 -43.46 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.287 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.04 -38.74 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.703 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.59 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.253 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.78 -53.15 33.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.415 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.07 -45.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -61.11 -40.8 95.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.555 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -63.2 -45.03 93.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.96 -41.34 97.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.804 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.29 -44.19 95.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.099 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.74 -41.75 82.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 1.0 110.373 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.767 HE22 HH21 ' B' ' 231' ' ' ARG . 21.9 mm100 -61.07 -42.98 99.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.498 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 53' ' ' THR . 93.7 p -80.57 -32.33 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.519 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HG2' ' H ' ' A' ' 54' ' ' ALA . 57.1 tt0 59.39 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 51' ' ' SER . 65.9 p 44.4 34.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.454 ' H ' ' HG2' ' A' ' 52' ' ' GLN . . . -166.71 -170.98 1.73 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.462 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -130.39 139.94 50.61 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.557 ' O ' ' N ' ' A' ' 58' ' ' VAL . 89.2 m -57.3 -85.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.493 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t 54.71 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.516 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 56' ' ' THR . 5.8 t 54.07 61.73 9.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.54 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 60' ' ' GLY . 58.5 Cg_endo -74.21 145.75 35.2 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.811 2.341 . . . . 1.0 112.111 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' PRO . . . 44.52 95.42 0.01 OUTLIER Glycine 0 CA--C 1.518 0.271 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 61' ' ' ILE . 9.9 tp -131.51 134.24 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.874 0.369 . . . . 1.0 110.569 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -141.44 93.8 2.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.518 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.68 -41.26 92.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.585 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.14 15.79 81.26 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.1 t -101.83 173.8 6.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.786 0.326 . . . . 1.0 110.454 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -68.57 137.63 54.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.507 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' A' ' 67' ' ' GLU . 1.3 pm0 -98.57 -88.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.249 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 53.01 174.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.501 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.49 21.22 70.06 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' TYR . 15.2 m -87.9 30.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 1.0 110.559 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -47.12 94.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.593 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 70' ' ' VAL . 69.8 t80 -93.6 11.11 29.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.487 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 72' ' ' TYR . 65.1 tp60 59.7 124.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.499 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -67.65 141.02 56.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.584 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -86.76 126.44 34.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.492 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.3 mt -77.43 143.83 38.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.522 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.8 146.07 40.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.411 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -136.24 88.51 2.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.34 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -123.95 114.65 20.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.419 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.466 179.798 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 16.2 ptm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -93.22 96.61 10.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.416 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 1.6 p 69.12 11.18 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.601 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 46.6 mt -96.09 114.18 25.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.324 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -172.33 -174.79 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.555 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 76.98 29.62 56.86 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.021 -0.831 . . . . 1.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 13.8 mm -87.06 93.84 4.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 1.0 110.382 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' B' ' 209' ' ' MET . 97.2 m-20 46.15 52.01 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.558 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' MET . . . . . 0.426 ' O ' ' O ' ' B' ' 208' ' ' ASP . 7.1 ptm -57.05 -157.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.461 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -110.54 -177.86 20.72 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -142.12 126.81 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 1.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' ILE . . . . . 0.406 ' C ' HD12 ' B' ' 213' ' ' LEU . 16.8 mt -141.83 144.06 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.566 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.553 ' C ' HD23 ' B' ' 214' ' ' LEU . 11.0 mp -101.19 126.12 47.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.957 0.408 . . . . 1.0 110.31 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 214' ' ' LEU . . . . . 0.553 HD23 ' C ' ' B' ' 213' ' ' LEU . 4.2 mm? -116.3 132.95 56.52 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.45 -0.796 . . . . 1.0 111.178 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -113.38 125.79 54.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.426 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.8 mt -134.11 144.95 48.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.715 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.4 m -56.39 150.52 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 218' ' ' ASN . . . . . 0.791 HD21 ' H ' ' B' ' 219' ' ' GLU . 0.0 OUTLIER -60.66 -29.25 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.493 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . 0.791 ' H ' HD21 ' B' ' 218' ' ' ASN . 80.4 mm-40 -66.0 -35.62 81.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.36 -43.52 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 62.3 mt -54.01 -37.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -65.44 -38.39 89.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.476 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.2 -47.69 76.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.218 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . 0.409 ' O ' HG21 ' B' ' 229' ' ' VAL . 53.2 t0 -56.01 -48.1 76.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.553 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 226' ' ' ASP . . . . . 0.546 ' O ' ' NE2' ' B' ' 230' ' ' GLN . 39.4 t0 -59.91 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.64 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.05 -33.68 75.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.121 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' B' ' 233' ' ' LEU . 70.3 tt0 -67.08 -37.71 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.729 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 229' ' ' VAL . . . . . 0.409 HG21 ' O ' ' B' ' 225' ' ' ASP . 58.9 t -65.16 -42.85 95.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 230' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 226' ' ' ASP . 0.2 OUTLIER -58.47 -47.81 82.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.91 -179.182 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.767 HH21 HE22 ' A' ' 50' ' ' GLN . 96.0 mtt-85 -77.7 -22.92 49.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 60.84 62.64 1.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.995 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 233' ' ' LEU . . . . . 0.595 ' O ' HD12 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.34 158.61 32.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.484 -179.784 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -60.67 143.92 99.47 Favored 'Trans proline' 0 C--N 1.302 -1.903 0 C-N-CA 122.402 2.068 . . . . 1.0 111.944 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 235' ' ' ARG . . . . . 0.401 ' HG3' ' H ' ' B' ' 236' ' ' ALA . 2.5 ptp85 -62.44 -38.12 88.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.567 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.401 ' H ' ' HG3' ' B' ' 235' ' ' ARG . . . -51.12 -38.6 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.01 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -66.37 -39.29 89.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 1.0 110.488 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 38.6 mt -63.89 -41.68 97.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.754 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.89 -43.08 99.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.528 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -61.58 -42.7 99.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.76 95.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.76 97.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.458 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 82.2 t -65.73 -53.24 40.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.527 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -51.96 -47.71 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.9 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.55 -41.27 80.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.703 0.287 . . . . 1.0 110.706 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -61.82 -41.7 98.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.125 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.57 -40.69 92.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.23 -47.39 92.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -49.77 -18.89 0.54 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -66.74 -33.88 76.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.564 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 69.6 m -85.92 32.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.751 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.53 97.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 19.1 m -62.86 -44.99 94.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.537 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' B' ' 255' ' ' ARG . . . 64.24 161.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.44 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' B' ' 254' ' ' ALA . 99.5 mtt180 58.07 133.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.715 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 9.2 p -80.18 171.64 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.543 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 257' ' ' SER . . . . . 0.408 ' O ' ' O ' ' B' ' 258' ' ' VAL . 31.0 t -49.1 176.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.356 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 258' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' B' ' 257' ' ' SER . 19.0 t 60.87 135.98 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.272 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.29 136.6 31.42 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.544 2.163 . . . . 1.0 112.316 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -97.08 -44.41 2.82 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 19.6 tt -137.24 138.25 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.858 0.361 . . . . 1.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 262' ' ' TRP . . . . . 0.486 ' O ' ' CD2' ' B' ' 262' ' ' TRP . 67.9 p-90 -75.92 120.68 21.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -164.18 147.38 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 166.72 45.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 50.1 m -90.11 132.49 35.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.795 0.331 . . . . 1.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -88.14 -10.14 50.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.435 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 267' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 267' ' ' GLU . 1.9 tm-20 69.33 67.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.649 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -78.82 121.49 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.569 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -150.53 120.27 1.1 Allowed Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.47 119.56 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.921 0.391 . . . . 1.0 110.283 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -71.68 -37.15 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.595 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -141.16 127.38 19.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.453 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -87.31 142.52 27.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 48.4 ptt85 -144.04 134.6 24.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 1.0 110.588 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -148.52 -87.97 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 65.1 mt -99.54 46.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.5 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -74.68 83.19 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.618 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.57 -38.28 77.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.53 128.15 50.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.998 0.428 . . . . 1.0 110.504 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 87.1 m95 . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.447 -179.873 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.884 0.373 . . . . 1.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.11 -177.35 47.56 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.497 -1.041 . . . . 1.0 110.497 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -144.86 144.5 31.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 1.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -134.11 151.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.17 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.604 ' O ' HD22 ' A' ' 14' ' ' LEU . 13.4 mt -92.56 145.65 24.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 13' ' ' LEU . 1.5 mm? -126.46 132.9 51.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.141 -0.936 . . . . 1.0 111.0 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -107.58 111.54 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.49 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.7 mt -133.2 147.38 52.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.559 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -65.72 161.28 21.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.268 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.16 -38.93 90.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.51 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 46.0 mp0 -56.84 -34.94 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.505 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.94 -43.21 85.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.44 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -53.86 -36.8 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.746 -0.464 . . . . 1.0 109.746 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.45 -40.11 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.98 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -63.6 -47.93 79.43 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.015 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.36 -42.29 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.79 -45.96 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.393 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -58.44 -42.95 88.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 1.0 110.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.429 ' CD1' ' CD2' ' B' ' 247' ' ' LEU . 6.8 mt -67.75 -33.9 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.665 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 32' ' ' ASN . 37.7 mt-10 -69.71 -36.08 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.745 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.3 -51.29 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.884 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' H ' ' HG2' ' A' ' 30' ' ' GLN . 5.7 pt20 -62.37 -39.72 94.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.475 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 mmt-85 -85.89 -16.94 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.633 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 28' ' ' GLU . 65.8 m-20 55.49 39.83 31.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.224 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -136.07 153.71 76.99 Favored Pre-proline 0 N--CA 1.464 0.259 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.981 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.54 153.79 72.75 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.622 2.215 . . . . 1.0 112.008 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 33.9 ptt180 -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.19 -41.28 26.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.244 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.82 -38.52 89.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.586 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.65 -41.75 75.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.669 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -55.46 -43.79 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.207 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.98 -36.64 83.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.65 80.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.32 -54.54 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.369 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -50.14 -43.94 52.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.953 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.47 -38.62 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.693 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -62.67 -46.68 87.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.71 -41.91 98.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--N 1.324 -0.535 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.158 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.6 mtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 1.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -67.02 142.16 41.02 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.556 -1.018 . . . . 1.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -94.64 135.19 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 1.0 110.688 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' LEU . 89.8 mt -133.35 134.61 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.278 0.561 . . . . 1.0 110.059 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.68 135.66 33.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.6 tp -119.07 127.12 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.499 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -100.28 121.72 41.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 58.3 mt -120.67 -164.82 1.14 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 217' ' ' SER . . . . . 0.683 ' O ' ' N ' ' B' ' 219' ' ' GLU . 2.9 m -121.97 92.6 3.77 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 119.553 -0.859 . . . . 1.0 110.48 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 218' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 217' ' ' SER . 83.5 m-20 21.88 -74.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 O-C-N 125.173 1.546 . . . . 1.0 112.388 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 219' ' ' GLU . . . . . 0.683 ' N ' ' O ' ' B' ' 217' ' ' SER . 96.8 mt-10 -50.06 -20.04 0.88 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.487 -1.688 . . . . 1.0 109.761 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 220' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 217' ' ' SER . 76.4 t -72.53 -43.66 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.278 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.92 -34.65 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.81 -45.33 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.372 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -55.18 -46.52 75.82 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.837 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.12 -38.14 87.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.356 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 225' ' ' ASP . . . . . 0.41 ' O ' HG23 ' B' ' 229' ' ' VAL . 28.3 t70 -58.27 -43.47 87.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -60.71 -41.72 95.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.894 0.378 . . . . 1.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -69.69 -40.73 76.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.512 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 229' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 225' ' ' ASP . 74.5 t -71.95 -51.88 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.859 -0.61 . . . . 1.0 111.153 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.58 -42.94 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.569 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -79.44 -22.32 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.969 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 61.02 61.53 1.59 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.592 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -154.52 160.31 31.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.384 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.46 139.25 88.6 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.388 2.058 . . . . 1.0 111.943 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' B' ' 236' ' ' ALA . 20.6 ptp180 -63.32 -41.13 98.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.363 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' B' ' 235' ' ' ARG . . . -48.32 -39.48 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.12 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -66.17 -40.86 90.79 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.605 HD23 ' OE1' ' B' ' 241' ' ' GLU . 21.2 mt -63.31 -41.14 98.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 1.0 110.258 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 239' ' ' LEU . . . . . 0.598 HD13 HD21 ' A' ' 14' ' ' LEU . 92.4 mt -67.34 -45.96 74.86 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.629 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -52.89 -50.81 63.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.61 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 241' ' ' GLU . . . . . 0.605 ' OE1' HD23 ' B' ' 238' ' ' LEU . 3.9 pt-20 -65.66 -31.88 73.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.299 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.17 70.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.175 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.8 -51.22 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.187 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -52.79 -48.01 67.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -57.62 -41.33 81.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.924 0.393 . . . . 1.0 110.244 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.19 -43.66 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 247' ' ' LEU . . . . . 0.429 ' CD2' ' CD1' ' A' ' 27' ' ' LEU . 92.0 mt -62.14 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.801 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.84 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.291 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 249' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' B' ' 249' ' ' ASN . 59.0 t-20 . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 1.0 110.311 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.1 mtp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.763 0.316 . . . . 1.0 110.544 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.84 -177.65 22.96 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -146.1 121.09 10.03 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.086 0.47 . . . . 1.0 110.328 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.4 146.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.6 mp -98.09 122.71 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 1.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.48 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.68 ' O ' HD22 ' A' ' 16' ' ' LEU . 91.5 m-20 -105.45 112.51 25.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.652 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -131.58 144.81 51.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.824 179.481 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 m -58.01 149.47 23.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.52 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -60.56 -37.48 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.552 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -55.95 -32.31 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 16' ' ' LEU . 77.5 t -72.29 -41.83 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -52.98 -38.79 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 109.827 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.08 -40.31 94.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.93 -46.64 80.8 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.069 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.07 -41.11 97.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.486 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.11 -50.23 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.486 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -58.92 -44.92 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.457 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.01 -34.27 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.793 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.81 -39.48 83.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.934 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -44.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.008 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -75.55 -16.79 60.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.797 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 55.66 33.48 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.347 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -127.51 158.12 70.82 Favored Pre-proline 0 C--O 1.224 -0.255 0 CA-C-O 121.0 0.428 . . . . 1.0 109.922 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.79 142.03 96.53 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.835 2.357 . . . . 1.0 112.911 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.8 -42.66 98.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.506 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.92 18.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.91 -38.09 87.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.65 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 33' ' ' LEU . 10.9 mt -66.07 -43.05 88.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.81 -45.67 88.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.556 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -59.25 -43.65 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.68 -42.34 98.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.767 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.86 82.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.0 t -71.25 -52.44 26.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.6 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -53.54 -46.03 70.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -55.05 -42.04 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -64.07 -41.48 97.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.411 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.49 -38.12 88.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.794 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.897 -179.068 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.1 mtp . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 120.863 0.363 . . . . 1.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -121.53 176.77 16.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -135.74 127.31 28.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.956 0.408 . . . . 1.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 77.7 mt -134.12 147.44 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.487 ' N ' HD12 ' B' ' 213' ' ' LEU . 11.2 mp -100.71 133.09 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 1.0 110.347 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.735 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -133.15 140.49 47.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.563 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.735 ' H ' HD23 ' B' ' 214' ' ' LEU . 41.1 p-10 -117.19 120.13 37.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.627 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 66.4 mt -123.73 148.26 46.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.66 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.6 m -59.36 150.93 24.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.457 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.41 -37.96 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.531 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -56.89 -35.45 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.635 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.02 -43.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.5 mt -55.14 -38.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.65 -37.88 87.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.366 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.6 -47.36 75.97 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.973 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.44 88.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.555 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -54.43 -45.23 72.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.594 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.64 -46.66 88.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 227' ' ' LEU . . . . . 0.45 ' N ' HD12 ' B' ' 227' ' ' LEU . 11.1 mp -67.49 -29.21 68.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.976 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' B' ' 232' ' ' ASN . 25.9 tt0 -68.98 -42.68 76.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.113 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 76.3 t -65.9 -42.47 92.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.021 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -56.82 -47.41 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.875 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -86.15 -23.59 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.668 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' B' ' 228' ' ' GLU . 64.6 t30 61.83 60.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.549 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -146.05 158.65 48.15 Favored Pre-proline 0 C--O 1.223 -0.324 0 CA-C-O 121.148 0.499 . . . . 1.0 110.582 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.94 141.72 97.07 Favored 'Trans proline' 0 C--N 1.3 -2.024 0 C-N-CA 122.74 2.293 . . . . 1.0 112.193 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -60.92 -42.1 97.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.47 -37.24 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.467 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.72 -39.14 80.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.574 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 238' ' ' LEU . 83.6 mt -63.83 -41.79 97.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.599 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 239' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 239' ' ' LEU . 91.3 mt -62.39 -43.23 99.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.67 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.44 -42.76 96.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.196 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.11 -45.81 91.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.706 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.96 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.556 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.33 -51.92 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.635 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -53.94 -49.33 68.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.209 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -55.58 -41.03 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -63.97 -43.73 94.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.55 -33.66 74.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.46 -43.5 96.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.572 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.25 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.3 mtp . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.766 0.317 . . . . 1.0 110.422 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.98 173.53 16.77 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' HD2' HD12 ' B' ' 213' ' ' LEU . 58.9 ttp180 -147.84 137.62 22.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 1.0 110.517 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.569 HD12 ' CD1' ' B' ' 216' ' ' LEU . 55.1 mt -138.52 149.61 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.11 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 14' ' ' LEU . 1.2 tt -93.46 120.1 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 1.0 109.823 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.618 ' N ' HD23 ' A' ' 13' ' ' LEU . 42.5 tp -114.12 130.47 56.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 15' ' ' ASP . 45.9 p-10 -115.26 128.13 55.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.433 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.71 144.89 50.6 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.646 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -66.04 160.3 24.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.374 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -60.86 -37.46 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.369 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -60.26 -36.33 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.535 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.62 -43.32 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.4 mt -54.05 -38.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -64.58 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.123 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.97 -48.96 69.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.73 -40.85 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.554 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -55.8 -43.42 76.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.62 -41.93 95.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 1.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.87 -32.74 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 39.4 mt-10 -69.92 -39.93 75.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.693 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.48 -50.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.739 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -52.54 -48.9 65.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.443 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -89.12 -12.6 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 28' ' ' GLU . 40.3 m-80 58.99 30.84 20.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.442 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.29 157.42 41.15 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.406 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.47 156.27 61.84 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.627 2.218 . . . . 1.0 111.714 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 30.1 ptt180 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.498 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.454 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.02 -40.96 24.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.183 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -65.77 -38.89 90.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.126 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.32 -40.98 94.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.586 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.59 -46.61 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.636 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -60.22 -43.75 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.378 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.08 -42.86 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.54 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.11 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.113 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -68.33 -51.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.1 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -53.74 -48.17 69.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.11 -40.18 92.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.391 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.99 -41.57 96.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.059 -179.612 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.3 mtp . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.795 0.331 . . . . 1.0 110.415 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -68.01 140.19 35.72 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.687 -0.965 . . . . 1.0 110.687 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -97.04 134.16 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 1.0 110.443 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 6.8 mm -132.75 139.82 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.559 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.599 HD22 ' N ' ' B' ' 213' ' ' LEU . 4.0 mm? -90.52 128.46 36.56 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.352 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 44.1 tp -112.73 127.01 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 47.7 p-10 -99.91 132.69 45.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.463 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.569 ' CD1' HD12 ' A' ' 12' ' ' ILE . 13.6 mt -134.78 -166.11 1.77 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.512 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 153.36 51.59 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -56.09 -39.42 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.34 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.88 -39.42 94.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.788 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 1.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.4 mt -53.02 -39.1 31.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.938 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.28 -39.57 92.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.16 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.02 -49.05 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.054 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 224' ' ' LEU . . . . . 0.438 ' O ' ' CD ' ' B' ' 228' ' ' GLU . 61.2 mt -60.93 -42.82 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.709 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -50.87 -42.76 59.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.271 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.17 -42.34 90.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 1.0 110.04 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 227' ' ' LEU . . . . . 0.404 ' N ' HD12 ' B' ' 227' ' ' LEU . 7.9 mp -67.17 -34.59 77.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.396 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' B' ' 232' ' ' ASN . 1.3 mp0 -68.38 -36.05 78.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.929 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.81 -51.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.606 -0.438 . . . . 1.0 111.147 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 230' ' ' GLN . . . . . 0.405 ' H ' ' HG2' ' B' ' 230' ' ' GLN . 6.9 pt20 -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.507 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -85.28 -17.93 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.723 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' B' ' 228' ' ' GLU . 55.7 t-20 51.69 45.87 27.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.199 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.0 mt -138.79 153.2 71.85 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.895 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 153.04 76.66 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.614 2.209 . . . . 1.0 111.985 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.468 ' NH1' HD11 ' A' ' 12' ' ' ILE . 89.7 mtm180 -61.97 -44.94 95.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.542 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.16 -42.73 20.2 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.249 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.63 -39.79 91.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 1.0 110.488 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.472 ' CD1' ' OE1' ' B' ' 228' ' ' GLU . 56.8 mt -67.49 -40.64 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.93 -45.77 93.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.54 -43.06 79.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.079 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 241' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 245' ' ' GLN . 95.8 mt-10 -67.53 -37.41 82.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.605 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.61 74.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.81 -52.59 52.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.413 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.8 -50.04 57.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.948 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 245' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' B' ' 241' ' ' GLU . 1.2 mp0 -60.57 -41.27 94.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.178 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.1 -46.08 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.468 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.538 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.82 -46.53 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.279 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 1.0 110.353 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.6 mtp . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 121.034 0.445 . . . . 1.0 110.493 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.52 139.08 10.34 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -97.68 138.34 35.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.842 0.353 . . . . 1.0 110.417 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -130.79 146.5 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 13' ' ' LEU . 11.2 mp -102.04 126.37 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.386 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 14' ' ' LEU . 42.6 tp -124.09 134.64 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.566 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 16' ' ' LEU . 45.9 p-10 -96.08 122.47 38.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.2 mm? -109.33 -173.26 2.22 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.69 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -128.72 145.37 51.19 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -53.26 -38.49 63.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.38 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -67.26 -41.24 85.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.547 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.0 -44.31 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.649 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.8 mt -52.89 -38.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.23 -38.74 91.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 1.0 110.417 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.22 -48.22 71.3 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.187 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.55 -42.73 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.8 t0 -56.82 -46.2 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.481 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.07 -47.58 85.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.65 -30.61 67.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.809 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 78.0 tt0 -70.53 -41.09 73.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.411 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 25' ' ' ASP . 65.0 t -65.11 -43.29 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.604 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.73 -40.31 92.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.712 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 58.45 38.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.52 153.83 72.88 Favored Pre-proline 0 C--O 1.226 -0.182 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.717 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.79 146.05 96.83 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.65 2.233 . . . . 1.0 112.071 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.562 HH22 HD12 ' B' ' 212' ' ' ILE . 59.9 ttp180 -60.33 -43.55 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.66 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.62 -40.32 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.396 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -66.4 -39.2 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.498 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.14 -41.36 94.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.843 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.51 -44.32 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.725 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.68 -42.64 97.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.434 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.97 -37.91 87.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.496 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.99 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.55 -52.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.22 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -53.51 -48.97 68.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.1 -40.07 92.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.497 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.415 ' OH ' ' NH2' ' B' ' 231' ' ' ARG . 89.5 t80 -61.42 -42.34 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.7 -42.92 94.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 1.0 110.173 179.602 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 81.9 mmm . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.854 0.359 . . . . 1.0 110.309 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -71.13 -176.17 22.83 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -126.91 123.04 36.29 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.666 0.269 . . . . 1.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.562 HD12 HH22 ' A' ' 35' ' ' ARG . 43.4 mm -117.68 151.1 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.67 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 6.6 tp -107.52 124.46 49.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.7 tp -117.69 131.95 56.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -112.13 123.18 49.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.612 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 57.0 mt -133.85 145.42 49.67 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.754 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.1 m -58.32 152.87 16.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.477 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -60.46 -29.33 68.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.07 -36.87 84.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.88 -42.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.504 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.6 mt -54.64 -37.62 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.975 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -65.6 -36.62 84.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.152 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.52 -47.14 73.86 Favored 'General case' 0 CA--C 1.527 0.059 0 CA-C-O 121.145 0.497 . . . . 1.0 109.919 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.19 -41.72 94.3 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.625 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 225' ' ' ASP . . . . . 0.406 ' CG ' HH21 ' B' ' 235' ' ' ARG . 67.9 t0 -59.06 -46.29 88.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.532 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -61.63 -40.42 94.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.461 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.73 -27.46 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.741 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.22 -42.35 75.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.903 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.72 -43.84 95.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.466 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.73 -40.15 94.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.668 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.711 HH11 HD22 ' B' ' 238' ' ' LEU . 99.6 mtt180 -82.46 -20.77 36.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 55.69 40.5 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.8 mt -132.89 152.9 80.66 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.936 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.89 142.15 93.08 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.662 2.241 . . . . 1.0 112.308 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.406 HH21 ' CG ' ' B' ' 225' ' ' ASP . 84.2 mtt85 -61.65 -41.96 98.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.654 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -49.44 -41.55 40.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.392 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 237' ' ' ASP . . . . . 0.417 ' O ' ' OD2' ' B' ' 237' ' ' ASP . 65.4 t0 -68.06 -39.2 83.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.552 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.711 HD22 HH11 ' B' ' 231' ' ' ARG . 88.7 mt -65.36 -42.98 92.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.453 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.12 -41.84 99.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.66 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 240' ' ' ARG . . . . . 0.487 HH21 ' CG ' ' A' ' 15' ' ' ASP . 43.9 ttm180 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 -37.93 78.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.548 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.63 97.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.124 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.2 -54.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.23 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -52.26 -47.57 65.72 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.162 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -63.81 -40.81 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.788 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -59.68 -43.78 93.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.64 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.84 -39.7 92.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.003 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.76 -45.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 1.0 110.469 179.62 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.7 mtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.815 0.341 . . . . 1.0 110.523 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 142.86 48.44 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.4 HH11 HD12 ' B' ' 213' ' ' LEU . 64.0 ttm-85 -99.87 117.81 34.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.041 0.448 . . . . 1.0 110.14 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -115.75 140.14 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-O 121.065 0.459 . . . . 1.0 110.594 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 13' ' ' LEU . 11.3 mp -98.64 125.89 44.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.032 0.444 . . . . 1.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -124.87 137.01 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.347 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 30.9 p-10 -125.99 136.07 52.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp -135.71 154.64 51.2 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -60.06 149.45 32.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.361 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -56.26 -39.62 72.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.383 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.65 -37.3 75.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.581 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.2 -43.95 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.575 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.28 -38.62 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.592 -0.521 . . . . 1.0 109.592 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.14 -37.48 87.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.477 ' O ' HD13 ' A' ' 27' ' ' LEU . 86.1 mt-30 -66.55 -46.95 74.42 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.73 -41.73 99.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.66 -47.66 84.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.94 -44.84 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 23' ' ' GLN . 6.7 mp -69.31 -30.95 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.863 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -67.55 -42.21 83.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.64 -43.34 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.626 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.95 -43.24 96.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.965 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HB2' HD11 ' A' ' 33' ' ' LEU . 30.9 mmt180 -69.35 -37.15 77.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' ARG . 2.7 m120 75.19 51.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -156.2 158.0 31.39 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.18 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 145.84 93.46 Favored 'Trans proline' 0 C--N 1.299 -2.061 0 C-N-CA 122.51 2.14 . . . . 1.0 112.295 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 35.1 ptt180 -61.18 -41.71 97.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.419 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.24 -40.21 33.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.164 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.68 -38.04 89.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.287 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.98 -41.88 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.017 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.82 -45.23 90.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.877 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.32 -43.01 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.34 -42.97 95.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.814 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.69 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.498 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -69.16 -52.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.577 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -55.77 -48.17 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 1.0 109.937 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -56.04 -40.94 74.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.729 0.3 . . . . 1.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.62 -39.09 90.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.721 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.74 -40.11 91.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.321 -179.574 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 73.0 mtp . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.991 0.424 . . . . 1.0 110.492 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -107.57 -165.34 21.77 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -155.04 124.33 6.34 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.029 0.442 . . . . 1.0 110.369 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.437 ' C ' HD22 ' B' ' 213' ' ' LEU . 57.5 mt -138.03 145.8 28.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.077 0.465 . . . . 1.0 110.505 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.5 HD22 ' N ' ' B' ' 213' ' ' LEU . 4.1 mm? -98.83 118.48 35.66 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.963 0.411 . . . . 1.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 214' ' ' LEU . 34.8 tp -114.25 130.01 56.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.494 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -105.79 122.04 45.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.917 0.389 . . . . 1.0 110.705 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.7 mt -130.73 137.43 49.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 6.1 m -58.44 158.03 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -61.31 -38.63 87.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.66 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 219' ' ' GLU . . . . . 0.457 ' OE1' ' NE2' ' B' ' 223' ' ' GLN . 14.8 tm-20 -59.01 -39.13 80.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.769 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.7 -44.41 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.12 -36.45 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.787 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.77 -36.81 84.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 223' ' ' GLN . . . . . 0.457 ' NE2' ' OE1' ' B' ' 219' ' ' GLU . 93.2 mt-30 -67.33 -48.49 67.39 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.92 -42.31 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -57.66 -43.01 84.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.734 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.65 -41.32 94.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.55 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 49.4 mt -73.08 -29.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.839 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.43 -46.29 73.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 94.5 t -68.26 -42.41 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.08 -32.14 6.42 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 14.9 mmm180 -102.99 -88.93 0.39 Allowed 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.404 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 231' ' ' ARG . 1.1 m120 165.8 19.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 56.0 mt -127.31 147.59 62.73 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.79 0.329 . . . . 1.0 110.981 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.85 170.5 18.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.817 2.345 . . . . 1.0 111.83 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' B' ' 236' ' ' ALA . 34.5 ptt-85 -63.98 -42.24 97.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.336 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' B' ' 235' ' ' ARG . . . -48.09 -38.98 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.182 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -72.51 -40.3 66.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.933 0.397 . . . . 1.0 110.782 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -37.19 81.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.371 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 239' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' B' ' 239' ' ' LEU . 85.3 mt -61.06 -41.86 97.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.61 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.91 -43.6 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.27 -42.0 76.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.26 86.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.985 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.17 -51.57 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.828 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.65 -46.43 70.55 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -63.76 -40.1 95.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.388 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.36 -42.86 99.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 247' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 247' ' ' LEU . 94.6 mt -59.92 -43.71 94.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.304 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.18 -44.57 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 110.018 -0.364 . . . . 1.0 110.018 179.56 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' B' ' 216' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.225 -0.194 0 CA-C-O 121.218 0.532 . . . . 1.0 110.7 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -46.35 -24.3 1.55 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' GLY . 67.2 ttp85 59.28 121.71 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.942 0.401 . . . . 1.0 110.301 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 13' ' ' LEU . 91.0 mt -129.67 155.87 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.017 0.437 . . . . 1.0 110.395 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' O ' HD22 ' A' ' 14' ' ' LEU . 12.0 mt -102.63 129.06 49.09 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.251 0.548 . . . . 1.0 110.643 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.507 HD22 ' O ' ' A' ' 13' ' ' LEU . 3.7 mm? -117.36 133.5 55.9 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.941 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -111.89 128.71 56.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.614 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.48 143.15 48.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.797 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -62.29 151.85 35.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -58.23 -24.53 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.34 -39.91 71.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.671 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.61 -42.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.708 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.3 mt -56.52 -39.67 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -64.45 -35.39 80.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.361 -0.381 . . . . 1.0 109.999 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.14 -45.95 68.81 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.009 0.433 . . . . 1.0 109.85 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.4 -42.92 98.81 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 29' ' ' VAL . 66.4 t0 -57.11 -48.7 77.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.684 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.69 -47.56 85.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.82 -32.41 73.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.723 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -65.62 -38.9 90.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.878 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 25' ' ' ASP . 71.0 t -62.21 -42.09 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.773 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.544 ' C ' ' HE ' ' A' ' 31' ' ' ARG . 98.1 mt-30 -64.82 -44.29 90.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.026 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.717 ' HE ' ' N ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -74.16 -24.91 59.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.781 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 57.08 46.22 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 1.0 110.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -140.52 160.92 57.42 Favored Pre-proline 0 C--O 1.219 -0.515 0 CA-C-O 121.118 0.485 . . . . 1.0 109.98 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 142.55 97.87 Favored 'Trans proline' 0 C--N 1.299 -2.065 0 C-N-CA 122.86 2.373 . . . . 1.0 113.26 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -61.06 -41.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.518 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.08 -38.35 24.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.445 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.51 -38.47 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.652 ' HG ' HD21 ' A' ' 33' ' ' LEU . 39.7 mt -65.7 -44.59 85.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.873 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.59 -44.42 90.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.804 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.06 -44.11 82.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.188 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.12 -39.62 94.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.532 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.94 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.263 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.08 -52.49 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -52.56 -44.56 65.94 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -62.39 -39.85 94.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.297 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -62.21 -41.79 98.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 1.0 110.198 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.73 -41.95 99.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.246 -179.633 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.8 mmm . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.781 0.324 . . . . 1.0 110.341 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -117.4 -176.44 17.43 Favored Glycine 0 N--CA 1.465 0.598 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -141.33 127.12 19.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.069 0.461 . . . . 1.0 110.533 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 93.9 mt -135.59 140.26 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.549 HD12 ' N ' ' B' ' 213' ' ' LEU . 9.7 mp -98.87 130.29 45.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.298 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.717 HD13 ' N ' ' B' ' 215' ' ' ASP . 0.2 OUTLIER -123.36 135.16 54.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.092 179.449 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.717 ' N ' HD13 ' B' ' 214' ' ' LEU . 4.3 m-20 -95.49 119.62 34.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.675 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 9' ' ' MET . 3.5 mm? -109.13 -169.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.898 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.2 t -130.63 149.58 52.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -56.76 -38.52 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.347 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.9 -41.95 90.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.0 t -69.31 -45.01 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.604 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 89.9 mt -53.19 -35.17 22.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.269 -0.423 . . . . 1.0 109.877 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -66.31 -39.01 89.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.024 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.25 -46.87 78.8 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.994 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 224' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 89.6 mt -63.76 -42.27 97.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.668 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -57.33 -46.97 82.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -61.47 -45.93 92.19 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.433 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.91 -34.1 77.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.819 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' B' ' 228' ' ' GLU . 0.0 OUTLIER -65.61 -41.76 92.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.746 -179.442 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.14 -33.59 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.935 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.48 -37.01 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.31 0.381 . . . . 1.0 110.104 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 57.3 mtm180 -105.35 -88.49 0.44 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.677 -0.409 . . . . 1.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.551 ' C ' HD12 ' B' ' 233' ' ' LEU . 22.9 t30 168.22 18.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.601 0.563 . . . . 1.0 110.386 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.551 HD12 ' C ' ' B' ' 232' ' ' ASN . 11.3 mp -111.27 151.22 43.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.774 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.35 159.39 49.52 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.641 2.227 . . . . 1.0 111.94 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.5 ptt180 -64.98 -44.54 89.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.712 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.98 -39.19 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.249 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.88 -39.22 76.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.963 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.466 HD21 HH21 ' B' ' 231' ' ' ARG . 21.0 mt -68.3 -39.29 82.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.654 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.09 -42.71 99.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.488 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 -60.95 -41.41 96.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.279 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.05 -37.94 89.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.686 0.279 . . . . 1.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.49 98.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.204 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.22 -52.36 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.157 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -53.65 -48.97 68.9 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.57 -40.59 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.433 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -60.92 -42.8 98.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.87 -40.39 88.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.944 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.54 -44.69 99.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 123.36 0.413 . . . . 1.0 110.112 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 109.97 -0.382 . . . . 1.0 109.97 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.679 0.276 . . . . 1.0 110.366 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.59 128.28 7.75 Favored Glycine 0 N--CA 1.466 0.665 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.59 139.64 38.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 1.0 110.763 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 13' ' ' LEU . 96.5 mt -139.71 155.51 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.425 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.443 ' N ' HG22 ' A' ' 12' ' ' ILE . 33.3 tp -119.34 125.49 49.17 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.8 tp -121.51 131.12 53.96 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.544 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -108.38 117.27 33.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.708 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' O ' ' A' ' 17' ' ' SER . 60.1 mt -132.01 145.02 51.19 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.745 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 16' ' ' LEU . 75.7 m -55.45 -158.59 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -110.96 -27.84 8.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.673 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -67.76 -29.71 68.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.288 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.35 -43.61 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.38 -36.57 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -66.35 -37.91 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.218 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -65.43 -48.61 72.17 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.98 -39.42 85.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.7 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 29' ' ' VAL . 22.8 t70 -55.82 -42.12 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.554 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.0 -43.15 99.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.4 mp -75.98 -29.27 58.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.653 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' ASN . 15.6 tm-20 -75.48 -40.22 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.835 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 25' ' ' ASP . 42.3 t -62.18 -50.91 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.648 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -58.32 -44.41 88.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.29 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.516 ' NH1' ' OH ' ' B' ' 246' ' ' TYR . 90.1 mtt180 -72.64 -34.47 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.975 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLU . 3.1 t30 63.48 52.13 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 15.9 mt -139.61 154.4 71.23 Favored Pre-proline 0 C--O 1.222 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.3 145.46 93.33 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.647 2.231 . . . . 1.0 112.273 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -60.77 -47.56 85.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.829 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.94 -42.06 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.391 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -64.79 -38.72 91.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.821 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.55 -40.55 89.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.799 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.84 -47.69 82.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.868 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.8 ttm-85 -60.45 -42.52 96.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.4 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -68.46 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.16 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.405 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.59 -53.72 32.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -50.58 -45.23 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.048 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -56.57 -40.78 75.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.39 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.27 -42.69 99.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.26 -39.26 86.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.666 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.12 -179.386 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 43.7 mmm . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.871 0.367 . . . . 1.0 110.304 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 210' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -100.97 -14.58 30.9 Favored Glycine 0 N--CA 1.463 0.449 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' B' ' 210' ' ' GLY . 71.7 ttt180 56.26 126.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.152 0.501 . . . . 1.0 110.472 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.402 ' C ' HD12 ' B' ' 213' ' ' LEU . 18.4 mt -141.01 142.06 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.46 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.546 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.3 mp -96.8 136.35 37.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.306 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 54.6 tp -133.0 138.15 46.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.609 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 215' ' ' ASP . 42.5 p-10 -123.45 122.36 38.04 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.655 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.46 153.52 43.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.8 m -65.75 158.51 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -61.99 -39.56 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.584 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 219' ' ' GLU . . . . . 0.601 ' O ' ' NE2' ' B' ' 223' ' ' GLN . 59.1 mp0 -58.39 -36.7 73.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.619 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.85 -41.91 91.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 1.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 66.8 mt -54.1 -36.27 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.186 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.54 -46.76 81.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.1 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 223' ' ' GLN . . . . . 0.601 ' NE2' ' O ' ' B' ' 219' ' ' GLU . 1.7 mp0 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 110.204 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.44 -39.59 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 225' ' ' ASP . . . . . 0.405 ' O ' HG23 ' B' ' 229' ' ' VAL . 56.7 t0 -56.41 -44.37 80.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.13 -41.88 93.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.443 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.49 -32.25 66.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.708 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -71.13 -40.89 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.561 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 229' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 78.5 t -66.25 -51.4 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.933 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -55.23 -43.72 74.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.706 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.624 ' HB3' HD22 ' B' ' 233' ' ' LEU . 10.4 mpt_? -78.81 -18.63 53.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.731 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 56.9 m-80 55.43 36.63 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.856 0.36 . . . . 1.0 110.541 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.833 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -132.11 159.86 70.33 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.027 0.442 . . . . 1.0 110.018 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.04 140.45 95.32 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.839 2.359 . . . . 1.0 112.608 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.3 ptp180 -59.71 -43.53 94.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -47.86 -38.96 17.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.218 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 237' ' ' ASP . . . . . 0.406 ' O ' ' OD2' ' B' ' 237' ' ' ASP . 63.8 t0 -66.63 -39.35 88.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.889 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.697 ' HG ' HD21 ' B' ' 233' ' ' LEU . 34.1 mt -64.48 -40.54 95.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.81 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.87 -44.68 96.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -57.52 -44.41 85.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.259 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.47 -39.96 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.656 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.77 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.379 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.13 -53.76 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.366 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -50.9 -49.32 59.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -59.2 -41.79 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.552 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 246' ' ' TYR . . . . . 0.516 ' OH ' ' NH1' ' A' ' 31' ' ' ARG . 66.7 t80 -63.02 -45.54 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.38 -42.29 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.912 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.96 -45.59 98.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.386 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 1.0 110.524 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.9 mtp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.837 0.351 . . . . 1.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -91.95 -26.06 20.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.519 -0.632 . . . . 1.0 111.519 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 71.8 ttt180 56.29 125.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.333 0.587 . . . . 1.0 110.179 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.9 mt -143.3 147.69 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.499 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.9 mp -97.73 133.79 41.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.06 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.408 HD13 HD13 ' B' ' 239' ' ' LEU . 40.3 tp -113.96 122.48 47.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -103.16 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.677 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' B' ' 209' ' ' MET . 13.5 mt -98.57 -171.67 2.17 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.628 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.6 OUTLIER -105.22 4.42 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.641 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' B' ' 210' ' ' GLY . 2.0 m-20 76.79 -41.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.26 0.35 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.01 -25.32 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.125 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.2 t -76.62 -31.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.292 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.68 -41.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -65.29 -35.61 81.53 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -48.42 71.33 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.11 -32.95 74.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.569 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.23 -40.63 86.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -63.91 -38.43 91.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.454 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 27' ' ' LEU . 8.7 mp -76.39 -28.96 56.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.872 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.65 -39.31 88.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.562 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.7 -49.51 79.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.807 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -57.64 -44.39 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.28 -22.84 54.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 56.41 42.01 28.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.64 153.14 72.08 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -56.44 142.51 89.07 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.716 2.277 . . . . 1.0 112.277 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.403 ' NH2' HD13 ' B' ' 212' ' ' ILE . 54.1 ttp180 -58.58 -48.04 82.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.711 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.75 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.541 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -65.12 -38.01 89.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.876 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.75 -39.95 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.829 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -47.07 86.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.466 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.87 -43.76 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.22 -41.53 85.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.378 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -67.32 -52.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -53.22 -48.73 67.91 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -63.24 -39.02 93.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.822 0.344 . . . . 1.0 110.488 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -58.9 -40.42 84.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.43 -42.81 96.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.9 mm . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.604 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 209' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 34.8 mmm . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.905 0.383 . . . . 1.0 110.249 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 210' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' A' ' 18' ' ' ASN . . . -106.04 -24.45 6.9 Favored Glycine 0 N--CA 1.465 0.572 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 73.4 ttt180 57.26 122.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.994 0.426 . . . . 1.0 110.48 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.434 HD12 HD12 ' A' ' 16' ' ' LEU . 30.6 mt -142.44 148.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.528 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.524 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.0 mp -92.28 144.64 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.278 0.561 . . . . 1.0 110.394 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.611 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -142.43 144.69 33.18 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.65 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.611 ' H ' HD23 ' B' ' 214' ' ' LEU . 3.4 m-20 -101.86 106.85 17.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.623 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.562 HD22 ' O ' ' B' ' 215' ' ' ASP . 3.9 mm? -119.87 137.35 54.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.027 178.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 12.4 m -66.28 156.2 35.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.424 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -69.42 -24.45 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.657 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.33 -35.81 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.594 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.09 -42.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.353 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.2 -38.65 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -63.89 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -67.89 -48.46 65.98 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.951 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.26 -39.61 91.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.485 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -51.01 -41.14 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -61.79 -40.94 96.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 1.0 110.497 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 227' ' ' LEU . . . . . 0.48 ' N ' HD12 ' B' ' 227' ' ' LEU . 9.8 mp -69.42 -28.31 66.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.522 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 7.4 tm-20 -68.58 -42.53 78.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.197 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 229' ' ' VAL . . . . . 0.447 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 83.0 t -74.87 -42.5 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.68 -47.08 85.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.112 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -91.05 -10.38 42.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.924 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 94.1 m-20 51.56 48.92 21.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.686 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.463 ' O ' ' OE2' ' B' ' 228' ' ' GLU . 17.7 mt -139.0 150.65 65.93 Favored Pre-proline 0 C--O 1.217 -0.611 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.575 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.85 150.93 51.62 Favored 'Trans proline' 0 C--N 1.301 -1.931 0 C-N-CA 122.982 2.455 . . . . 1.0 112.851 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.07 -48.76 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.256 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.3 -40.85 8.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.208 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.61 -39.03 91.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.615 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 238' ' ' LEU . 87.3 mt -64.49 -42.73 95.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.76 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 239' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 14' ' ' LEU . 96.5 mt -63.63 -47.94 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.505 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -58.35 -44.87 88.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.82 -41.03 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.413 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.32 80.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.164 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.23 -52.06 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -51.63 -48.2 63.41 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -59.44 -40.6 87.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.48 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.07 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.83 -41.68 96.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.619 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.95 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.994 0.426 . . . . 1.0 109.946 179.771 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.6 mtm . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.793 0.33 . . . . 1.0 110.72 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.44 29.56 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -101.81 144.77 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' B' ' 214' ' ' LEU . 52.5 mt -138.22 137.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 1.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.8 mm? -93.42 124.01 37.12 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.074 0.464 . . . . 1.0 110.5 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 13' ' ' LEU . 2.2 mm? -116.89 131.21 57.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.503 ' C ' HD22 ' A' ' 16' ' ' LEU . 96.6 m-20 -102.13 110.59 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.4 mm? -105.44 -165.97 1.17 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.6 -154.39 0.54 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.031 0.443 . . . . 1.0 110.358 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -111.21 -38.58 4.98 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.194 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.546 ' OE1' ' NE2' ' A' ' 23' ' ' GLN . 0.7 OUTLIER -70.73 -28.36 64.66 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.072 179.606 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.59 -37.97 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 120.944 0.402 . . . . 1.0 110.244 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.51 -42.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.399 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.76 -38.6 91.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.546 ' NE2' ' OE1' ' A' ' 19' ' ' GLU . 81.9 mt-30 -66.19 -45.58 80.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.305 -0.407 . . . . 1.0 109.925 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.28 -45.3 92.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.899 0.381 . . . . 1.0 110.799 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.28 -47.5 85.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.52 -45.35 92.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.04 -30.8 70.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.66 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' ASN . 21.3 mt-10 -66.9 -42.29 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.668 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.47 -42.43 96.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.613 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.98 -46.21 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.629 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -80.82 -12.71 59.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.596 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 14.1 m120 56.04 37.95 29.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.1 mt -134.05 150.54 74.61 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.812 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 154.7 72.69 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.719 2.279 . . . . 1.0 112.134 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 9.7 ptp85 -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.495 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.5 -39.3 33.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.107 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -69.75 -39.99 76.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.34 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.9 -41.99 86.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.49 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.71 -44.56 89.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.761 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -57.78 -42.98 85.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.258 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.69 -38.01 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.452 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.16 -44.54 97.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.09 -53.96 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.289 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.35 -44.58 68.62 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.117 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -64.78 -36.48 84.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.868 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.479 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.22 -46.94 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.463 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 48' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.331 -0.197 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 71.1 mmm . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.968 0.413 . . . . 1.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -116.93 120.86 4.96 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 110.864 -0.895 . . . . 1.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -82.24 136.46 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.06 0.457 . . . . 1.0 110.546 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.521 HG22 ' N ' ' B' ' 213' ' ' LEU . 96.8 mt -137.39 158.66 35.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.379 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.54 HD23 ' N ' ' B' ' 214' ' ' LEU . 1.2 tt -113.54 112.42 23.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.072 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.54 ' N ' HD23 ' B' ' 213' ' ' LEU . 33.6 tp -113.23 131.21 55.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.639 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.436 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 44.7 p-10 -121.15 122.94 41.09 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.453 . . . . 1.0 110.502 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.3 mt -129.58 152.28 49.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.651 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.1 m -55.67 152.25 9.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -61.57 -38.46 87.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.263 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -56.86 -33.9 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.417 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.35 -43.07 81.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.43 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.76 -37.04 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.73 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.9 -38.0 87.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 1.0 109.958 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.01 -48.01 72.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.237 -0.438 . . . . 1.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.94 -41.23 86.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.429 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.5 -41.1 80.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.449 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.43 -46.56 89.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.42 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 227' ' ' LEU . . . . . 0.403 HD12 ' N ' ' B' ' 227' ' ' LEU . 8.9 mp -66.42 -31.84 72.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.522 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 232' ' ' ASN . 32.3 mt-10 -63.85 -43.63 95.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.23 -43.17 95.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.564 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -65.49 -38.23 89.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.486 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.42 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 6.8 mmp_? -93.78 -3.03 52.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.631 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 228' ' ' GLU . 3.9 p-10 43.6 37.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.503 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.2 mt -133.64 151.65 77.55 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.693 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.76 149.91 89.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.58 2.186 . . . . 1.0 112.205 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.7 ptp180 -60.1 -42.76 95.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.492 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.44 -41.83 30.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.395 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -70.14 -40.24 74.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.548 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.26 -42.03 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.65 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.28 -42.11 99.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.574 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -55.86 -44.97 78.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.283 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -69.19 -37.39 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.06 88.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.385 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.58 -53.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -55.55 -49.45 72.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -54.59 -41.89 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.637 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -63.53 -44.18 95.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 1.0 110.487 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.61 -35.85 80.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.69 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.86 -44.01 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 67.3 t30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.149 179.444 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.1 mtm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.835 0.35 . . . . 1.0 110.408 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -179.94 24.66 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.653 -0.979 . . . . 1.0 110.653 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -130.38 128.58 41.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.834 0.349 . . . . 1.0 110.538 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 mm -127.31 147.37 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.711 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.8 mp -98.76 136.03 39.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.326 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -130.07 136.36 49.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.435 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -120.57 123.93 44.06 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.3 mt -129.34 151.46 49.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -66.59 156.22 35.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.472 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -61.22 -31.57 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.462 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.88 -35.03 77.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.95 -41.76 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.385 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.6 mt -53.96 -41.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.018 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.18 -37.84 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 1.0 110.277 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.01 -48.95 69.47 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.31 -38.69 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 29' ' ' VAL . 47.1 t0 -55.0 -45.94 75.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.552 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -60.51 -44.04 96.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.1 mp -74.48 -28.57 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.93 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASN . 8.3 tm-20 -76.2 -42.13 47.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.82 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 25' ' ' ASP . 57.8 t -66.38 -51.54 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.67 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -52.44 -45.91 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.51 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.594 ' HE ' HD21 ' A' ' 33' ' ' LEU . 72.2 mtp85 -81.73 -32.86 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.756 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' GLU . 55.2 t30 63.19 65.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.898 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.594 HD21 ' HE ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -150.27 159.24 35.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.355 0.598 . . . . 1.0 110.586 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.46 141.69 95.08 Favored 'Trans proline' 0 C--N 1.3 -1.978 0 C-N-CA 122.703 2.268 . . . . 1.0 112.175 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.43 HH11 ' CD1' ' B' ' 212' ' ' ILE . 44.6 ttm180 -61.31 -43.88 98.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.475 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.36 -41.06 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.287 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.46 -39.7 95.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.68 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.97 -43.39 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.66 -47.78 82.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.789 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -57.89 -43.9 86.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.484 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.36 -39.63 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.9 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.307 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.92 -51.62 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.148 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -52.83 -48.05 67.25 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -56.54 -42.28 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.744 0.307 . . . . 1.0 110.479 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -63.69 -43.2 97.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.036 0.446 . . . . 1.0 110.608 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.28 -40.67 97.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.333 -179.434 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 79.5 mtp . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.748 0.309 . . . . 1.0 110.311 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -113.09 179.83 19.2 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -139.47 128.62 23.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 1.0 110.404 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.43 ' CD1' HH11 ' A' ' 35' ' ' ARG . 82.6 mt -135.52 149.32 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.334 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.482 ' N ' HD12 ' B' ' 213' ' ' LEU . 11.2 mp -102.23 128.24 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.986 0.422 . . . . 1.0 110.238 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.67 132.8 54.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.644 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -113.05 128.37 56.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.63 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 64.1 mt -128.54 140.01 52.01 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 9.1 m -66.02 155.49 36.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.367 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -57.94 -38.03 75.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.362 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.76 -41.36 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.537 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.64 -39.62 47.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.77 -37.75 88.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 1.0 110.248 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.38 -48.52 75.14 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 121.032 0.444 . . . . 1.0 109.913 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.5 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.475 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.37 -40.22 85.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -65.52 -38.96 91.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.655 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.99 -29.63 63.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.847 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' B' ' 233' ' ' LEU . 6.0 tm-20 -69.46 -42.08 75.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.959 0.409 . . . . 1.0 110.912 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.61 -48.26 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.838 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.01 -45.92 89.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.698 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -78.14 -26.36 47.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.936 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 66.7 t30 58.92 42.9 18.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 16.0 mt -138.52 153.96 73.0 Favored Pre-proline 0 C--O 1.222 -0.361 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.001 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.82 144.52 99.44 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.764 2.309 . . . . 1.0 112.288 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 30.5 ptt180 -58.62 -45.29 89.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -45.8 -43.19 13.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.116 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.99 -39.74 93.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.406 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.04 -40.64 95.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.727 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.79 -48.03 82.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.41 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -59.18 -43.5 92.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -65.86 -38.35 88.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.12 87.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.59 -53.79 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -49.81 -48.69 50.64 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.02 -41.36 99.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 1.0 110.558 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.29 -47.95 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.491 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.14 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.39 -48.61 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.591 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 51.1 t30 . . . . . 0 CA--C 1.534 0.343 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.514 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mmm . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.928 0.394 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.67 154.97 16.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -123.89 120.11 31.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.996 0.426 . . . . 1.0 110.482 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.4 ' C ' HD12 ' A' ' 13' ' ' LEU . 93.3 mt -137.2 152.76 28.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.565 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.5 mp -99.33 139.59 34.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.739 HD23 ' H ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -134.47 140.85 46.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.539 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.739 ' H ' HD23 ' A' ' 14' ' ' LEU . 46.2 p-10 -119.66 127.28 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.722 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -131.31 148.51 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -59.67 152.32 22.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -62.55 -37.66 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.598 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -56.18 -35.57 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.545 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -68.31 -42.68 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.93 -39.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.24 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.04 -39.38 93.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.14 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -66.32 -48.97 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.193 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.28 -40.19 96.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.295 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -59.66 -42.94 93.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.508 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.399 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.12 -28.69 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -66.01 -41.48 90.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.543 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.2 -43.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.82 -44.32 97.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.851 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -77.89 -11.77 59.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 53.31 34.29 17.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.2 mt -135.04 153.92 78.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.17 145.51 97.51 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 122.733 2.288 . . . . 1.0 112.0 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 36' ' ' ALA . 40.4 ptt180 -61.13 -41.57 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.595 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 35' ' ' ARG . . . -48.95 -42.25 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.289 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -66.2 -40.31 90.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.473 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.726 HD13 HD21 ' B' ' 214' ' ' LEU . 88.7 mt -61.34 -44.4 97.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.554 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.77 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.359 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.74 -50.63 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.332 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -54.54 -48.79 71.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.954 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -57.17 -42.27 80.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.423 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -63.51 -42.01 98.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -42.64 97.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 1.0 109.863 179.355 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 77.4 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.329 . . . . 1.0 110.485 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.92 35.02 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -77.03 130.23 37.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 1.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.44 HG22 ' N ' ' B' ' 213' ' ' LEU . 87.5 mt -134.53 154.94 38.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.493 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.44 ' N ' HG22 ' B' ' 212' ' ' ILE . 0.1 OUTLIER -111.32 128.66 56.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.994 0.426 . . . . 1.0 110.363 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -115.44 131.52 56.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -101.95 111.13 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.4 mt -116.81 130.61 56.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.668 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 1.6 t -63.12 149.05 46.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.439 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -55.57 -38.24 69.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.47 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 66.7 t -68.24 -42.39 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 1.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -55.34 -39.58 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.03 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.18 -48.22 68.61 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.051 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 224' ' ' LEU . . . . . 0.55 ' C ' HH12 ' B' ' 235' ' ' ARG . 63.3 mt -65.49 -39.86 92.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.419 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -57.87 -47.08 83.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.576 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.69 -39.83 92.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.999 0.428 . . . . 1.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' B' ' 232' ' ' ASN . 38.5 tt0 -60.88 -42.69 98.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.709 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.19 -41.91 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.816 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -55.17 -47.91 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.942 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -92.74 -15.72 26.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.716 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' B' ' 228' ' ' GLU . 32.1 m-80 57.13 36.75 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 84.6 mt -109.6 156.0 40.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 1.0 110.536 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.16 144.51 99.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.531 2.154 . . . . 1.0 112.272 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.55 HH12 ' C ' ' B' ' 224' ' ' LEU . 4.7 tpm_? -61.28 -54.02 49.4 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.023 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -53.33 -38.2 63.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.2 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 237' ' ' ASP . . . . . 0.435 ' O ' ' OE1' ' B' ' 241' ' ' GLU . 62.3 t0 -66.54 -40.76 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 1.0 110.612 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.52 HD13 HH21 ' B' ' 235' ' ' ARG . 78.8 mt -66.94 -40.7 87.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.787 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.37 -44.16 97.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.568 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -57.38 -42.6 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.184 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 241' ' ' GLU . . . . . 0.556 ' N ' ' OE1' ' B' ' 241' ' ' GLU . 1.4 mp0 -63.36 -42.65 98.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.8 78.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.511 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.8 -53.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.534 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.38 -43.57 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.031 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -58.05 -41.07 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.424 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.47 -42.52 98.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.595 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.99 -41.72 98.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.753 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.48 -45.33 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.3 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.071 179.035 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.756 0.312 . . . . 1.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.53 138.58 30.59 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.512 HH21 HD23 ' B' ' 213' ' ' LEU . 28.8 ttt85 -84.0 141.09 31.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' HD22 ' A' ' 13' ' ' LEU . 75.9 mt -133.51 149.8 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 1.0 110.51 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.486 HD22 ' C ' ' A' ' 12' ' ' ILE . 4.2 mm? -104.21 111.85 24.63 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.344 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 212' ' ' ILE . 49.4 tp -108.77 126.59 53.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.213 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -115.85 124.26 50.21 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.973 0.416 . . . . 1.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -134.6 151.19 50.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.725 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -63.63 157.55 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.562 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -63.09 -37.53 87.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.525 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -57.39 -32.73 67.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.4 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.15 -44.19 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.67 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.9 mt -53.38 -38.17 31.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -64.57 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 1.0 110.005 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -67.09 -48.31 68.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.193 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.37 -40.89 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -51.86 -42.11 62.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.397 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -59.6 -43.17 93.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.401 . . . . 1.0 110.257 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.0 mp -70.26 -29.67 66.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.428 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.5 mt-10 -70.98 -39.93 72.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.91 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.24 -50.06 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.759 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.353 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -85.05 -15.92 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.804 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' GLU . 11.1 m120 56.89 37.87 29.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.297 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.3 mt -136.52 152.62 75.08 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.028 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.45 151.44 84.94 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.62 2.213 . . . . 1.0 112.055 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -58.82 -45.26 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.842 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.23 -37.92 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.052 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 66.1 t0 -68.73 -37.82 79.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 1.0 110.741 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.75 -39.83 91.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.65 -44.04 97.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.757 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -60.63 -43.21 97.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.19 -40.36 82.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.58 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.38 96.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.32 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.85 -53.51 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.2 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.31 -48.66 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.853 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.62 -41.19 98.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.704 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -60.99 -44.59 97.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.64 -46.74 88.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.479 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.322 -0.619 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.63 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 57.2 mtp . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.854 0.359 . . . . 1.0 110.273 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 210' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -101.23 -19.36 16.77 Favored Glycine 0 N--CA 1.461 0.365 0 N-CA-C 111.57 -0.612 . . . . 1.0 111.57 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.5 ttm-85 57.38 124.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.008 0.432 . . . . 1.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.473 ' C ' HD12 ' B' ' 213' ' ' LEU . 90.5 mt -136.96 148.8 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.285 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.559 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.2 mp -101.33 131.68 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ILE . 59.1 tp -131.38 138.32 49.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 215' ' ' ASP . 37.9 p-10 -129.51 133.08 47.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 1.0 110.7 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.498 ' O ' ' O ' ' B' ' 217' ' ' SER . 91.4 mt -135.37 160.82 37.24 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.474 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 217' ' ' SER . . . . . 0.498 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -53.65 -159.08 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.364 179.572 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -103.95 -43.81 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.797 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -59.32 -27.57 66.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.352 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.38 -43.7 78.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.547 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.96 -34.74 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -68.17 -38.52 82.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.088 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.38 -46.82 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.912 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.5 mt -63.0 -39.35 94.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.689 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -54.84 -42.55 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.573 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.28 -40.11 89.23 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.646 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.71 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.79 -39.26 73.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.199 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 64.7 t -86.9 -36.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.905 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -43.87 -27.45 0.35 Allowed 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 83.7 mtt85 -117.98 -92.72 0.52 Allowed 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 120.361 -0.535 . . . . 1.0 110.867 178.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.558 ' H ' HD12 ' B' ' 233' ' ' LEU . 19.3 t30 165.92 60.71 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.82 0.7 . . . . 1.0 110.997 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.778 HD22 ' C ' ' B' ' 233' ' ' LEU . 0.0 OUTLIER -164.12 156.03 14.42 Favored Pre-proline 0 C--N 1.312 -1.03 0 CA-C-O 121.385 0.612 . . . . 1.0 110.174 -177.627 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 234' ' ' PRO . . . . . 0.527 ' O ' HD22 ' B' ' 233' ' ' LEU . 19.8 Cg_endo -57.94 142.51 96.59 Favored 'Trans proline' 0 C--N 1.293 -2.36 0 C-N-CA 122.37 2.047 . . . . 1.0 113.882 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 20.1 ptp180 -57.98 -40.73 81.39 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.25 0.548 . . . . 1.0 110.658 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -46.12 -43.1 14.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.143 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 237' ' ' ASP . . . . . 0.526 ' HB2' HD23 ' B' ' 233' ' ' LEU . 58.1 m-20 -63.59 -35.36 80.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.519 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.425 ' HG ' HD21 ' B' ' 233' ' ' LEU . 6.8 mt -67.14 -39.31 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.933 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 239' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 239' ' ' LEU . 92.6 mt -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.99 -42.04 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.345 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.7 -37.25 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.622 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.51 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.75 -53.73 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.448 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -51.07 -47.12 61.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 1.0 109.856 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -63.06 -40.59 98.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.554 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.84 -44.1 97.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.288 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.19 -44.61 97.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.324 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.07 -46.02 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.112 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.588 179.666 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.1 mtp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.807 0.337 . . . . 1.0 110.317 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -61.45 121.49 26.3 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HD2' HD11 ' B' ' 213' ' ' LEU . 61.0 ttp180 -74.1 130.75 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 1.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -134.57 142.22 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.919 0.39 . . . . 1.0 110.088 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.9 mp -98.97 126.5 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.256 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.8 tp -114.18 128.4 56.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.0 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -109.15 111.11 22.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.505 ' O ' ' SD ' ' B' ' 209' ' ' MET . 82.5 mt -104.68 -162.28 0.88 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.056 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -130.16 152.17 49.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 1.0 110.284 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -51.27 -39.27 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.418 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.8 -38.73 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.54 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.5 -45.01 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.413 . . . . 1.0 110.754 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.24 -34.69 22.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 1.0 109.929 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.83 -40.35 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.168 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.06 -47.5 79.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.104 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.5 -41.91 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.78 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.21 -41.31 83.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -58.34 -40.75 82.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.04 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.19 -30.58 65.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.65 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.3 mt-10 -70.63 -40.84 72.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.805 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.88 -49.66 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.78 -45.37 94.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.59 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.523 ' NH1' HD22 ' A' ' 38' ' ' LEU . 78.2 mtp180 -84.51 -14.84 47.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.768 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' GLU . 15.4 m120 55.48 40.91 31.29 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.536 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 mt -133.59 151.87 78.01 Favored Pre-proline 0 N--CA 1.463 0.178 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.03 151.56 84.06 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.551 2.167 . . . . 1.0 112.161 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 20.7 ptp180 -64.3 -45.82 86.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.284 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -45.59 -41.24 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.104 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.66 -38.67 84.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.542 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.523 HD22 ' NH1' ' A' ' 31' ' ' ARG . 97.5 mt -67.87 -39.46 83.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.647 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.22 -45.28 94.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -56.34 -42.64 78.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.127 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 81.0 mm-40 -68.71 -36.98 79.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.445 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.73 81.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.08 -54.21 37.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 120.694 -0.403 . . . . 1.0 110.463 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -53.46 -50.95 64.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.128 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 1.8 mp0 -65.06 -37.6 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.408 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -61.01 -44.65 97.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.551 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.42 HD23 HD11 ' B' ' 227' ' ' LEU . 8.7 mt -57.4 -47.94 80.39 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.756 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.5 mt . . . . . 0 C--N 1.321 -0.648 0 CA-C-O 121.182 0.515 . . . . 1.0 110.846 179.359 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 209' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 9.0 mmm . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 110.208 -0.293 . . . . 1.0 110.208 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 210' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -115.65 -7.55 15.57 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 111.149 -0.78 . . . . 1.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.1 ttp180 58.16 133.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.026 0.441 . . . . 1.0 110.419 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.503 ' CD1' HD12 ' A' ' 16' ' ' LEU . 95.6 mt -140.76 154.99 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.13 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.503 HD11 ' HD2' ' A' ' 11' ' ' ARG . 9.8 tp -113.87 140.08 48.65 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.602 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.686 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.4 OUTLIER -143.09 146.93 34.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.766 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.686 ' H ' HD23 ' B' ' 214' ' ' LEU . 92.3 m-20 -114.59 115.3 26.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.694 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 10' ' ' GLY . 4.1 mm? -115.51 145.76 42.32 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.873 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 65.4 m -59.03 -160.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.344 -0.844 . . . . 1.0 109.819 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -107.2 -22.24 12.68 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.669 0.271 . . . . 1.0 110.52 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 219' ' ' GLU . . . . . 0.558 ' OE2' ' N ' ' B' ' 219' ' ' GLU . 55.4 mp0 -75.97 -32.8 59.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.692 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.49 -45.07 79.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.77 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -52.96 -34.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 1.0 109.897 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.53 -39.97 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.206 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -66.19 -46.95 75.54 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.004 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.68 -41.98 99.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.88 -40.12 91.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.212 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.91 -38.83 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.033 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 227' ' ' LEU . . . . . 0.42 HD11 HD23 ' A' ' 47' ' ' LEU . 95.5 mt -73.24 -29.3 62.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.678 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 232' ' ' ASN . 41.3 mt-10 -70.65 -39.04 73.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.852 0.358 . . . . 1.0 110.752 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.1 -49.41 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -63.4 -46.11 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.674 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -82.92 -14.17 54.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.71 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' B' ' 228' ' ' GLU . 76.8 m-20 51.31 46.89 25.81 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.786 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -135.91 158.09 74.64 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.68 148.7 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.741 2.294 . . . . 1.0 112.808 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 235' ' ' ARG . 39.3 ttp-105 -60.39 -44.81 95.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.355 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.92 -41.14 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.249 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -65.53 -37.55 87.07 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.575 ' HG ' HD21 ' B' ' 233' ' ' LEU . 42.4 mt -66.48 -42.3 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.867 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.18 -46.84 82.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.819 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.63 -44.05 93.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.97 -38.21 82.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.767 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.17 96.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.82 -52.15 53.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.149 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -52.08 -47.34 65.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.933 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.98 -41.71 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.846 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.55 -41.72 95.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.799 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.52 -44.44 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.049 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.125 179.848 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 72.2 mtp . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 120.838 0.352 . . . . 1.0 110.415 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.78 140.02 10.41 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -91.32 147.53 22.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 1.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' B' ' 214' ' ' LEU . 8.1 mm -134.13 154.93 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.581 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' N ' HG22 ' A' ' 12' ' ' ILE . 37.3 tp -116.62 121.47 41.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -127.81 138.17 52.63 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.455 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 15' ' ' ASP . 41.1 p-10 -115.0 113.99 24.83 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.801 0.334 . . . . 1.0 110.793 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -114.7 139.49 49.62 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.766 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -56.99 157.43 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.251 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 19' ' ' GLU . 41.5 p-10 -65.53 -26.67 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.577 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 18' ' ' ASN . 79.6 tt0 -67.74 -38.9 84.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.554 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.19 -43.24 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.533 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.6 -36.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -66.08 -40.59 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.274 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -63.64 -48.91 75.32 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.749 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.88 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.646 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -42.87 82.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -61.76 -42.84 99.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 1.0 110.195 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.19 -33.3 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.746 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 32' ' ' ASN . 33.5 mt-10 -65.12 -43.29 92.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.83 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.44 -44.29 98.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -67.49 -40.48 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 39.1 mmm-85 -88.21 -3.47 58.86 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.808 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' GLU . 5.0 p-10 43.6 41.37 3.42 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -135.08 150.55 73.3 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.943 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.52 152.48 78.42 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.541 2.161 . . . . 1.0 112.058 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -62.47 -40.31 96.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.7 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.65 52.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.368 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -65.13 -42.14 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.53 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.81 -41.46 95.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.797 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.58 -41.95 99.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.734 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.57 -43.54 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.188 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.31 -44.52 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.95 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.583 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.72 -53.66 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.839 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -56.84 -44.79 82.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.322 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -54.84 -45.36 74.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.695 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -64.83 -45.18 87.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' CD2' ' CD1' ' B' ' 227' ' ' LEU . 49.4 mt -62.61 -44.85 95.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.155 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 C--N 1.314 -0.953 0 C-N-CA 120.791 -0.364 . . . . 1.0 110.482 179.841 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 54.7 mmm . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.728 0.299 . . . . 1.0 110.213 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 210' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -113.58 -8.54 18.59 Favored Glycine 0 N--CA 1.466 0.7 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 80.7 ttt180 56.2 117.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 1.0 110.163 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.4 mm -121.41 147.37 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 22.2 tp -110.42 121.09 44.45 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.215 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 12' ' ' ILE . 41.8 tp -128.96 140.11 51.8 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.776 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' B' ' 215' ' ' ASP . 22.2 p30 -127.7 123.88 36.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.454 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' B' ' 217' ' ' SER . 63.4 mt -122.59 152.72 40.15 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.623 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 217' ' ' SER . . . . . 0.615 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -47.31 -158.76 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.876 0.735 . . . . 1.0 110.664 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -106.18 -39.1 6.06 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 122.034 -0.416 . . . . 1.0 110.94 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -32.27 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.352 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.26 -47.6 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.467 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.18 -33.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.2 -39.67 89.83 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.98 -46.7 88.09 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 224' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' B' ' 224' ' ' LEU . 3.4 mm? -62.53 -43.68 98.21 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.677 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.82 -47.88 81.37 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 123.553 0.533 . . . . 1.0 110.466 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.61 -47.13 87.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 227' ' ' LEU . . . . . 0.419 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.2 mt -65.86 -34.14 77.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.915 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 3.6 tm-20 -65.75 -42.5 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.033 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.876 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.83 -42.99 72.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.976 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.472 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.5 mmm180 -68.4 -38.61 81.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.661 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 50.2 t30 73.39 48.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.17 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.606 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.83 158.72 32.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.51 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.16 145.13 93.87 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.492 2.128 . . . . 1.0 112.235 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -61.44 -38.75 88.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.353 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.26 54.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.122 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.09 -40.64 98.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 109.996 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.453 HD21 ' HE ' ' B' ' 231' ' ' ARG . 83.0 mt -63.38 -43.34 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.088 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.68 -44.09 94.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.22 -42.43 90.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.359 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.24 -39.28 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.56 93.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.501 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.06 -53.62 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.473 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -53.86 -48.45 69.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.856 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -56.79 -42.72 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.73 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.08 -43.2 99.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.481 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.29 -45.11 95.84 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.529 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 89.1 mt -53.92 -43.4 57.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.518 179.628 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.414 ' SD ' ' OG ' ' B' ' 217' ' ' SER . 90.5 mmm . . . . . 0 CA--C 1.524 -0.041 0 CA-C-O 120.875 0.369 . . . . 1.0 110.688 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.26 129.55 14.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -84.26 145.01 28.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 1.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' C ' HD22 ' A' ' 13' ' ' LEU . 64.9 mt -139.49 149.51 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.579 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.9 mm? -95.4 123.88 39.15 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 120.989 0.423 . . . . 1.0 110.669 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.728 HD21 HD13 ' B' ' 239' ' ' LEU . 0.8 OUTLIER -114.12 130.3 56.59 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.437 -0.801 . . . . 1.0 111.08 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -101.58 111.06 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.616 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' B' ' 210' ' ' GLY . 20.8 mt -124.55 132.96 53.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.514 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.02 155.01 11.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.397 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -59.97 -36.65 77.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.425 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 19' ' ' GLU . 54.2 mp0 -56.57 -36.19 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.621 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.57 -43.16 80.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.941 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.7 mm -52.97 -40.68 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.087 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -63.69 -40.24 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.312 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.02 -47.18 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.067 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 73.0 mt -58.19 -44.3 87.97 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.401 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.63 ' O ' HG23 ' A' ' 29' ' ' VAL . 27.5 t70 -62.14 -34.77 76.99 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.954 0.406 . . . . 1.0 110.667 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -66.44 -50.29 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.449 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 pp -79.53 -28.89 41.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.289 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 78.1 tt0 -75.66 -38.23 58.96 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.975 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 25' ' ' ASP . 40.7 t -65.41 -45.99 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.224 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -67.46 -36.69 81.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.579 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -71.73 -17.91 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.62 41.02 32.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 mt -137.73 152.23 72.16 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.795 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.87 144.41 93.36 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.565 2.177 . . . . 1.0 112.145 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 36' ' ' ALA . 49.7 ptt85 -60.49 -39.91 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.323 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 35' ' ' ARG . . . -49.16 -41.25 35.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.097 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.03 -42.8 80.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.748 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.86 -42.53 85.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.63 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.72 HD13 HD21 ' B' ' 214' ' ' LEU . 84.2 mt -63.17 -45.53 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.7 -43.46 85.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.296 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -65.25 -41.04 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.533 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.365 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.5 -53.39 32.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -51.96 -43.24 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.94 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -56.58 -38.85 72.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.49 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' OH ' ' NH1' ' B' ' 231' ' ' ARG . 51.4 t80 -62.41 -40.48 96.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.389 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.57 -40.57 87.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.656 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mm . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -179.63 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 1.0 110.363 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 210' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -50.35 119.4 7.15 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.633 -0.987 . . . . 1.0 110.633 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -97.47 120.59 38.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 1.0 110.52 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.74 150.2 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.53 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.517 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.8 mp -94.4 130.67 40.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.15 0.5 . . . . 1.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -111.85 131.48 55.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.345 -0.843 . . . . 1.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 44.7 p-10 -103.63 114.81 29.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.718 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 75.7 mt -134.14 137.68 44.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 217' ' ' SER . . . . . 0.414 ' OG ' ' SD ' ' A' ' 9' ' ' MET . 4.9 m -57.33 152.31 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.269 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -63.3 -23.72 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.552 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.46 -35.67 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.538 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.39 -43.62 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.835 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.4 mt -53.01 -38.3 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.152 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.66 -46.84 77.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.931 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.92 -44.19 97.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.369 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.72 -37.5 86.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.388 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.51 -40.86 98.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.491 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.2 mt -79.05 -28.46 43.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.918 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' B' ' 233' ' ' LEU . 14.5 tm-20 -62.62 -40.6 97.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.783 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.18 -42.28 87.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.171 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.18 -47.73 71.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.879 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.437 ' NH1' ' OH ' ' A' ' 46' ' ' TYR . 99.4 mtt180 -86.84 -32.51 20.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.598 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.481 ' C ' HD12 ' B' ' 233' ' ' LEU . 47.8 t30 70.72 37.9 1.32 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.644 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.481 HD12 ' C ' ' B' ' 232' ' ' ASN . 9.0 mp -115.23 157.18 44.39 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.53 141.62 95.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.482 2.122 . . . . 1.0 111.976 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 235' ' ' ARG . 34.0 ttm105 -60.18 -43.71 95.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.36 -40.94 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.192 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -66.23 -40.74 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.204 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.03 -44.36 89.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.603 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 239' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 14' ' ' LEU . 87.8 mt -68.22 -47.56 67.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.227 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.49 -43.56 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.94 -38.36 86.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.493 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.48 79.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.181 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.3 t -67.86 -52.69 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.274 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -50.95 -41.15 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.518 . . . . 1.0 109.6 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -62.24 -40.25 95.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.829 0.347 . . . . 1.0 110.417 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -62.53 -43.74 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.556 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.87 -45.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.894 0.378 . . . . 1.0 110.319 179.489 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.9 mmm . . . . . 0 C--O 1.23 0.061 0 N-CA-C 110.077 -0.342 . . . . 1.0 110.077 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -118.24 -5.19 13.31 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' GLY . 60.9 ttp180 57.81 121.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.005 0.431 . . . . 1.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mm -131.98 143.87 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.546 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.6 mt -99.62 129.93 45.81 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.577 -0.738 . . . . 1.0 110.506 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD13 HD13 ' B' ' 239' ' ' LEU . 45.1 tp -125.2 133.75 52.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.75 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' B' ' 210' ' ' GLY . 64.2 t0 -111.49 113.87 26.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.996 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 mt -124.53 144.49 50.09 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -58.59 154.04 15.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.092 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -64.81 -37.58 88.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.756 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -57.29 -36.63 71.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.612 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.75 -43.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.8 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.35 -37.99 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -64.53 -39.3 93.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -65.7 -49.03 70.02 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.001 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.47 -39.67 91.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -56.33 -47.66 78.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.448 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.03 -46.35 88.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 1.0 110.564 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.65 -34.86 72.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.934 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 69.2 tt0 -66.69 -41.97 87.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.881 0.372 . . . . 1.0 110.599 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.71 -44.23 89.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -61.19 -39.24 89.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.665 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.549 ' NH1' ' OH ' ' B' ' 246' ' ' TYR . 81.0 mtp180 -84.14 -4.83 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER 43.72 43.29 4.84 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.431 179.735 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.9 mt -134.7 152.85 78.36 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.55 145.56 98.56 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.515 2.143 . . . . 1.0 112.216 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' N ' ' OE2' ' A' ' 28' ' ' GLU . 80.8 ttt180 -63.63 -42.4 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.261 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -40.83 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.248 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.29 -38.64 91.77 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' NH1' ' A' ' 31' ' ' ARG . 99.3 mt -62.44 -44.11 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD13 HD13 ' B' ' 214' ' ' LEU . 90.6 mt -64.16 -43.73 94.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.021 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -57.28 -46.33 83.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.322 0.582 . . . . 1.0 110.125 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.55 -40.63 76.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.234 -0.894 . . . . 1.0 110.487 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.48 -48.77 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.56 -51.52 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.059 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -52.83 -48.02 67.29 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -64.1 -37.28 86.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.968 0.413 . . . . 1.0 110.245 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -61.52 -43.2 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.324 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.38 -39.95 92.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.658 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 -179.768 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 78.1 mtp . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.649 0.262 . . . . 1.0 110.421 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 210' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 15' ' ' ASP . . . -130.32 172.3 20.34 Favored Glycine 0 N--CA 1.465 0.583 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -123.84 129.91 51.77 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.861 0.362 . . . . 1.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.56 141.07 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.257 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.492 ' N ' HD12 ' B' ' 213' ' ' LEU . 11.3 mp -100.91 128.51 46.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.415 HD13 HD13 ' A' ' 39' ' ' LEU . 35.5 tp -124.05 134.68 53.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.538 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 43.4 p-10 -104.09 110.75 23.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.617 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.561 ' O ' ' O ' ' B' ' 217' ' ' SER . 53.6 mt -115.41 136.62 52.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.646 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 217' ' ' SER . . . . . 0.561 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.2 OUTLIER -50.46 -157.5 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.949 0.781 . . . . 1.0 110.07 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -110.94 -38.52 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.847 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.97 -32.03 72.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.684 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 79.8 t -68.09 -42.94 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.807 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.18 -38.0 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -64.0 -39.47 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.35 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.81 -47.15 81.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.177 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.93 -42.54 99.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.654 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 225' ' ' ASP . . . . . 0.434 ' O ' HG23 ' B' ' 229' ' ' VAL . 50.2 t0 -62.17 -44.11 97.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -61.68 -44.21 97.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.605 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.3 mp -74.24 -28.75 61.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.612 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -68.7 -38.83 80.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.212 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 229' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 225' ' ' ASP . 57.8 t -60.91 -43.99 96.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.57 -41.94 92.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 1.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.21 -30.0 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.618 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' B' ' 232' ' ' ASN . 2.4 t30 60.59 45.34 10.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.33 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 14.8 mt -139.04 154.12 72.2 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.987 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.6 144.36 99.44 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.193 1.929 . . . . 1.0 111.968 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.2 ptt-85 -58.59 -42.34 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.386 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -50.05 -38.92 40.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.137 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -70.27 -41.14 73.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.1 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.0 -42.53 97.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.46 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 239' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 14' ' ' LEU . 86.1 mt -63.63 -42.64 98.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.65 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.03 -42.32 98.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.262 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.29 -39.15 93.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.506 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.74 95.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.515 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.56 -52.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.638 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -53.63 -45.67 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.088 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.64 -42.59 71.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.519 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 246' ' ' TYR . . . . . 0.549 ' OH ' ' NH1' ' A' ' 31' ' ' ARG . 81.9 t80 -63.54 -42.59 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.041 0.448 . . . . 1.0 110.639 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.6 -38.13 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.781 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.74 -43.91 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.075 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 120.85 0.357 . . . . 1.0 110.454 179.599 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.941 0.401 . . . . 1.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.47 135.39 8.28 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.728 -0.949 . . . . 1.0 110.728 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -89.93 138.82 31.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.986 0.422 . . . . 1.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 13' ' ' LEU . 66.5 mt -136.34 146.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 1.0 110.26 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.8 mp -100.28 131.77 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.381 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -124.01 130.16 52.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.634 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.452 ' C ' HD22 ' A' ' 16' ' ' LEU . 83.0 m-20 -103.55 125.87 50.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.693 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.3 mm? -108.07 -177.75 3.42 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.639 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.84 6.12 29.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 76.32 -54.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.458 0.474 . . . . 1.0 110.699 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -27.68 65.83 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.171 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.96 -41.13 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.223 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -51.68 -36.98 19.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.05 -37.38 85.7 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -63.59 -49.33 73.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.194 0.521 . . . . 1.0 109.689 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.0 mt -64.85 -34.38 78.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.76 -41.95 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.19 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -62.38 -36.77 83.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 1.0 110.309 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.92 -28.01 55.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.61 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 33' ' ' LEU . 13.6 tm-20 -67.27 -40.06 86.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.87 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.37 -49.9 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.799 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.06 -42.46 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.367 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.0 mmt-85 -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.848 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.05 43.18 30.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 14.8 mt -138.07 153.97 73.8 Favored Pre-proline 0 C--O 1.22 -0.481 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.811 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.35 149.29 82.1 Favored 'Trans proline' 0 C--N 1.301 -1.926 0 C-N-CA 122.799 2.333 . . . . 1.0 112.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.77 -48.78 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.477 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -41.84 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.395 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.03 -40.22 94.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.793 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -41.75 97.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.751 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.35 -48.41 79.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -57.95 -44.08 86.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.318 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.38 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.592 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.0 71.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.445 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.57 -53.79 40.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -51.73 -50.57 60.31 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -61.66 -41.55 97.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.575 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.85 -45.4 94.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.454 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.42 -42.15 98.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.633 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.352 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 80.1 mtp . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 120.922 0.391 . . . . 1.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -55.73 174.2 1.14 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.702 -0.959 . . . . 1.0 110.702 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -133.74 129.9 37.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.884 0.373 . . . . 1.0 110.494 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 76.1 mt -132.79 143.47 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.249 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.545 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.3 mp -93.13 132.11 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.326 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.421 HD21 HD11 ' B' ' 216' ' ' LEU . 54.7 tp -124.05 131.33 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.551 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 43.5 p-10 -114.73 111.27 21.01 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.654 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.421 HD11 HD21 ' B' ' 214' ' ' LEU . 52.0 mt -121.47 148.57 44.27 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.664 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.9 m -66.72 155.68 37.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.445 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -60.21 -40.0 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -57.75 -36.43 72.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.524 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.26 -42.27 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.88 -39.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.43 -35.82 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -66.41 -49.02 68.17 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.151 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.43 -39.69 94.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.486 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -52.38 -44.01 65.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.221 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.65 -40.7 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.387 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.39 -29.27 61.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.586 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' B' ' 232' ' ' ASN . 14.2 tm-20 -68.8 -41.34 78.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.762 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.38 -50.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.739 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.01 -42.21 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 26.2 mmt180 -80.59 -16.67 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.571 ' ND2' ' O ' ' B' ' 232' ' ' ASN . 1.8 p-10 43.56 51.69 6.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.586 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.7 mt -139.7 153.79 70.46 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.895 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.19 148.39 78.64 Favored 'Trans proline' 0 C--N 1.3 -1.982 0 C-N-CA 122.773 2.315 . . . . 1.0 112.279 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -60.91 -49.14 78.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.79 11.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.317 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -65.07 -39.84 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.655 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.41 -45.42 91.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.481 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 99.4 mt -66.01 -46.67 77.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.091 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -56.71 -46.41 81.27 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.088 0.471 . . . . 1.0 110.205 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -67.25 -37.28 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.675 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.36 85.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.59 -53.37 39.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -52.34 -50.73 61.74 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.999 0.428 . . . . 1.0 109.984 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -55.92 -43.89 77.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.456 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -60.52 -41.01 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.7 mt -61.17 -42.59 98.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.78 -46.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.371 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 63.0 t30 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.306 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.1 mtp . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.13 139.21 25.62 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -84.82 139.02 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 1.0 110.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.05 134.97 53.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.23 121.95 37.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.3 tp -101.75 121.92 42.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.909 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 45.8 p-10 -99.86 119.21 37.83 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.95 0.405 . . . . 1.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -151.14 147.79 27.48 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.84 0.829 . . . . 1.0 110.45 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -59.86 156.74 13.68 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.723 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -68.33 -30.05 68.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -58.76 -33.73 70.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.92 -45.11 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.683 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 74.5 mt -52.8 -36.53 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.549 -0.538 . . . . 1.0 109.549 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.43 -44.15 95.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.778 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.58 -46.96 71.13 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.881 -0.6 . . . . 1.0 109.875 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.1 tp -65.0 -51.27 62.62 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.784 0.802 . . . . 1.0 109.614 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 17.6 t0 -51.6 -46.17 63.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.067 -0.97 . . . . 1.0 110.259 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.554 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 31.2 t70 -60.7 -37.23 80.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.435 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.5 tp -66.74 -36.7 83.08 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 110.112 -0.329 . . . . 1.0 110.112 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 66.7 tt0 -62.55 -38.43 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.889 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.739 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -64.79 -40.69 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 1.0 110.726 -179.646 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.427 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 16.7 mmt85 -77.81 -9.45 59.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.602 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 4.7 p-10 44.3 42.51 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.375 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 mt -137.33 154.67 75.65 Favored Pre-proline 0 N--CA 1.463 0.215 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.589 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.67 144.31 97.89 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.391 2.061 . . . . 1.0 111.919 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.602 HH11 HD11 ' A' ' 39' ' ' LEU . 47.6 ttp85 -61.44 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.661 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.28 -40.41 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.286 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -66.5 -39.01 88.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.828 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 mt -65.37 -43.34 91.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.031 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.602 HD11 HH11 ' A' ' 35' ' ' ARG . 81.6 mt -63.34 -43.48 97.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -61.96 -43.7 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.304 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -66.29 -42.55 88.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.869 0.366 . . . . 1.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.28 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.81 -51.27 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 1.0 110.367 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -54.44 -46.68 73.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.079 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -57.42 -42.39 82.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.468 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.21 -41.85 99.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.469 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.682 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.105 -179.845 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 71.8 mtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.933 0.397 . . . . 1.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -127.62 40.17 1.8 Allowed Glycine 0 N--CA 1.462 0.376 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -40.82 154.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.782 0.325 . . . . 1.0 110.786 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.43 HG22 ' N ' ' B' ' 213' ' ' LEU . 50.8 mt -138.58 155.85 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.372 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.43 ' N ' HG22 ' B' ' 212' ' ' ILE . 7.1 mt -91.84 138.83 31.23 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 34.9 tp -138.81 142.66 38.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.178 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.486 ' C ' HD12 ' B' ' 216' ' ' LEU . 0.9 OUTLIER -116.5 125.85 52.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 1.0 110.676 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.607 ' O ' ' O ' ' B' ' 217' ' ' SER . 9.8 mp -119.36 144.96 46.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.169 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 217' ' ' SER . . . . . 0.607 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.3 OUTLIER -49.26 -154.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 124.235 0.96 . . . . 1.0 110.023 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -112.07 -40.2 4.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.502 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.71 -32.11 71.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.18 -42.97 79.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.959 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.78 -36.12 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -65.98 -41.13 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.345 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -61.97 -45.57 93.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.002 -0.544 . . . . 1.0 109.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.42 -41.61 98.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.442 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.09 -47.06 86.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.422 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.45 -45.81 92.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.914 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.12 -36.29 82.76 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 235' ' ' ARG . 66.3 tt0 -67.57 -40.12 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.77 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.13 -44.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.78 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.65 -40.64 92.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 1.0 110.744 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.475 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.1 mmm180 -68.87 -36.35 77.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.689 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 74.51 43.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.175 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.597 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -149.32 158.99 37.71 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-O 120.788 0.328 . . . . 1.0 110.118 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.87 142.79 99.26 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.328 2.018 . . . . 1.0 112.009 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 235' ' ' ARG . . . . . 0.525 ' N ' ' OE1' ' B' ' 228' ' ' GLU . 34.6 ptt180 -61.06 -40.97 95.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.161 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.86 -38.88 23.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.024 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -66.05 -38.33 88.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.654 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -42.23 91.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.9 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.358 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.144 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.75 -41.36 83.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.498 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.16 87.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.929 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.44 -50.72 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.383 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.59 -46.08 73.71 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.567 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -63.82 -39.92 95.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.501 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -61.51 -42.75 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.508 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.85 -40.5 95.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.729 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.52 -44.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.021 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.518 179.679 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 ptm . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.696 0.284 . . . . 1.0 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.4 164.69 15.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 11' ' ' ARG . 46.8 ttm105 -138.94 132.96 31.18 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.167 -0.308 . . . . 1.0 110.167 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 13' ' ' LEU . 42.8 mm -130.66 161.04 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.543 ' N ' HG22 ' A' ' 12' ' ' ILE . 62.1 mt -108.01 140.73 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.045 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 tp -121.97 128.75 51.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.586 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -101.07 115.59 30.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.75 -179.04 4.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.211 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.5 OUTLIER -112.15 7.37 19.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.853 -179.327 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 77.81 -43.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.372 0.42 . . . . 1.0 110.11 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.56 -31.94 72.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.364 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.45 -39.41 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.539 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.1 mt -54.98 -39.96 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -63.49 -38.91 92.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.018 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.02 -49.36 70.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.115 0.483 . . . . 1.0 109.729 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' GLU . 69.2 mt -64.14 -36.84 85.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.494 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -56.1 -43.79 78.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.416 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' HG12 ' A' ' 29' ' ' VAL . 44.1 t0 -61.73 -37.12 83.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.232 0.539 . . . . 1.0 110.29 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 mt -83.65 -27.71 28.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.079 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 33' ' ' LEU . 4.9 tm-20 -78.18 -41.02 35.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.134 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 30' ' ' GLN . 9.7 p -56.38 -48.4 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.024 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.603 ' N ' HG13 ' A' ' 29' ' ' VAL . 88.0 mt-30 -60.41 -42.04 95.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.966 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.517 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 95.6 mtt-85 -78.44 -15.55 58.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.682 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.555 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 0.6 OUTLIER 44.03 50.26 7.3 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.379 0.424 . . . . 1.0 110.651 179.699 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.504 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 16.3 mt -137.37 154.51 75.46 Favored Pre-proline 0 N--CA 1.463 0.191 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.804 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.515 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 18.3 Cg_endo -59.32 144.71 99.31 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.395 2.064 . . . . 1.0 112.431 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.03 -40.13 96.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.484 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.0 -45.24 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.313 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -65.81 -39.49 90.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.557 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 38' ' ' LEU . 92.7 mt -65.18 -41.64 94.39 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.369 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -45.75 88.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.606 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -59.97 -42.96 95.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.139 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -63.5 -38.54 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.78 93.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.281 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.42 -52.94 45.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.008 0.432 . . . . 1.0 110.075 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -52.61 -49.62 64.73 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.853 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -60.89 -40.75 94.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -62.76 -44.13 97.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.55 -41.76 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.625 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.21 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 73.6 mmm . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 120.76 0.314 . . . . 1.0 110.173 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.24 168.1 7.11 Favored Glycine 0 C--O 1.225 -0.416 0 N-CA-C 110.393 -1.083 . . . . 1.0 110.393 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -135.19 116.59 14.64 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 110.269 -0.271 . . . . 1.0 110.269 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.1 mm -118.91 147.16 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.463 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.611 HD12 ' N ' ' B' ' 213' ' ' LEU . 9.9 mp -94.67 133.12 38.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.16 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.4 tp -117.7 127.33 53.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 215' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 215' ' ' ASP . 44.1 p-10 -94.01 118.33 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.78 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.28 -167.12 1.64 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.074 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.0 m -133.38 154.35 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.283 0.364 . . . . 1.0 110.297 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.15 -36.01 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.26 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.37 -37.79 88.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.514 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.09 -41.74 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.564 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.73 -39.09 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.04 -40.0 94.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.369 -0.378 . . . . 1.0 109.992 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.8 -49.06 77.84 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.108 0.48 . . . . 1.0 109.746 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.02 -37.4 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.589 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -59.23 -40.88 87.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.972 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.38 -39.61 93.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 1.0 110.234 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.41 -28.83 61.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.441 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 232' ' ' ASN . 4.2 tp10 -69.21 -38.76 78.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 1.0 110.848 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 77.0 t -63.39 -51.53 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.094 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 230' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' B' ' 230' ' ' GLN . 7.6 pt20 -62.02 -40.89 97.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.294 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.574 ' HB3' HD22 ' B' ' 233' ' ' LEU . 19.5 mmt180 -77.58 -28.14 51.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.69 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 232' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' B' ' 228' ' ' GLU . 1.2 t30 52.23 53.02 13.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.424 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.77 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -148.64 159.76 37.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.06 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.78 144.73 99.6 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.792 2.328 . . . . 1.0 112.729 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -62.06 -42.32 99.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.172 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.19 -40.29 15.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.96 -39.1 92.97 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.502 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' B' ' 233' ' ' LEU . 38.7 mt -65.68 -40.64 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.862 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.27 -47.45 85.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.88 -44.52 86.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -68.25 -38.0 81.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.53 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.08 78.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.452 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.41 -53.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.028 0.442 . . . . 1.0 110.178 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.46 -47.79 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 1.0 109.935 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -61.46 -40.38 94.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.633 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.32 -44.43 97.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.1 mt -61.1 -41.94 97.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.613 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.4 -46.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.112 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.246 -179.893 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.6 mtp . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.883 0.373 . . . . 1.0 110.443 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.24 -170.78 24.04 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -125.76 137.06 53.78 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.848 0.356 . . . . 1.0 110.21 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.3 150.79 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.157 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.59 ' C ' HD23 ' A' ' 13' ' ' LEU . 4.9 tt -107.48 115.88 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.061 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.585 ' N ' HD23 ' A' ' 13' ' ' LEU . 53.6 tp -110.53 131.0 55.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -116.55 120.77 39.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.445 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.3 mt -123.88 145.74 48.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 m -60.67 152.01 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.242 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -60.54 -33.51 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.294 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.86 -36.75 70.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.23 -42.36 81.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.685 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.98 -42.22 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.8 -42.9 99.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.43 -45.67 65.41 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.74 -45.23 90.82 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 120.856 0.36 . . . . 1.0 110.123 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.46 -48.58 81.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.43 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.79 -43.94 90.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.514 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.659 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' OE2' ' O ' ' A' ' 33' ' ' LEU . 14.8 tm-20 -65.51 -40.74 93.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -72.56 -32.4 41.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.825 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -57.22 -48.46 78.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -92.24 -14.74 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.744 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 60.15 28.45 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.661 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 5.7 mp -110.88 155.86 41.7 Favored Pre-proline 0 C--O 1.223 -0.317 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.27 147.08 94.1 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.632 2.222 . . . . 1.0 112.134 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -61.36 -42.71 99.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.732 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.19 -38.95 27.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.288 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.82 -41.69 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.422 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.71 -44.56 89.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.49 -45.05 85.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.985 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -56.32 -43.46 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.287 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.04 -38.74 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.703 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.59 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.253 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.78 -53.15 33.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.415 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.07 -45.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -61.11 -40.8 95.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.555 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -63.2 -45.03 93.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.96 -41.34 97.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.804 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.099 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 7.1 ptm . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.667 0.27 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -110.54 -177.86 20.72 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -142.12 126.81 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 1.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 212' ' ' ILE . . . . . 0.405 ' C ' HD12 ' B' ' 213' ' ' LEU . 16.8 mt -141.83 144.06 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.566 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 213' ' ' LEU . . . . . 0.559 ' C ' HD22 ' B' ' 214' ' ' LEU . 11.0 mp -101.19 126.12 47.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.957 0.408 . . . . 1.0 110.31 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 214' ' ' LEU . . . . . 0.559 HD22 ' C ' ' B' ' 213' ' ' LEU . 4.2 mm? -116.3 132.95 56.52 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.45 -0.796 . . . . 1.0 111.178 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -113.38 125.79 54.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.426 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.8 mt -134.11 144.95 48.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.715 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.4 m -56.39 150.52 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 218' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' B' ' 218' ' ' ASN . 6.5 p30 -60.66 -29.25 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.0 -35.62 81.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.495 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.36 -43.52 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 62.3 mt -54.01 -37.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -65.44 -38.39 89.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.476 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.2 -47.69 76.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.218 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 225' ' ' ASP . . . . . 0.411 ' O ' HG23 ' B' ' 229' ' ' VAL . 53.2 t0 -56.01 -48.1 76.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.553 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 226' ' ' ASP . . . . . 0.546 ' O ' ' NE2' ' B' ' 230' ' ' GLN . 39.4 t0 -59.91 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.64 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.05 -33.68 75.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.121 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 228' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' B' ' 233' ' ' LEU . 70.3 tt0 -67.08 -37.71 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.729 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 229' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 225' ' ' ASP . 58.9 t -65.16 -42.85 95.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 230' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 226' ' ' ASP . 0.2 OUTLIER -58.47 -47.81 82.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.91 -179.182 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -77.7 -22.92 49.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 60.84 62.64 1.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.995 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 233' ' ' LEU . . . . . 0.595 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.34 158.61 32.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.484 -179.784 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -60.67 143.92 99.47 Favored 'Trans proline' 0 C--N 1.302 -1.903 0 C-N-CA 122.402 2.068 . . . . 1.0 111.944 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -62.44 -38.12 88.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.567 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -51.12 -38.6 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.01 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -66.37 -39.29 89.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 1.0 110.488 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 38.6 mt -63.89 -41.68 97.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.754 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.89 -43.08 99.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.528 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -61.58 -42.7 99.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.76 95.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.76 97.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.458 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 82.2 t -65.73 -53.24 40.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.527 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -51.96 -47.71 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.9 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.55 -41.27 80.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.703 0.287 . . . . 1.0 110.706 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -61.82 -41.7 98.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.125 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.57 -40.69 92.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.23 -47.39 92.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 N--CA 1.451 -0.403 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.555 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.9 mtp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -87.23 94.07 9.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.609 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -69.59 -23.79 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.656 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.3 mt 50.9 99.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.458 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.64 91.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.93 141.31 15.52 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.497 -1.041 . . . . 1.0 110.497 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 pt -96.25 131.57 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.986 0.422 . . . . 1.0 110.014 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 59.08 39.5 23.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.754 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp -123.82 125.37 44.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.11 -177.35 47.56 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.497 -1.041 . . . . 1.0 110.497 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -144.86 144.5 31.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 1.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -134.11 151.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.17 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.604 ' O ' HD22 ' A' ' 14' ' ' LEU . 13.4 mt -92.56 145.65 24.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 13' ' ' LEU . 1.5 mm? -126.46 132.9 51.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.141 -0.936 . . . . 1.0 111.0 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -107.58 111.54 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.49 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.7 mt -133.2 147.38 52.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.559 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -65.72 161.28 21.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.268 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.16 -38.93 90.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.51 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 46.0 mp0 -56.84 -34.94 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.505 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.94 -43.21 85.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.44 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -53.86 -36.8 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.746 -0.464 . . . . 1.0 109.746 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.45 -40.11 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.98 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -63.6 -47.93 79.43 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.015 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.36 -42.29 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.79 -45.96 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.393 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -58.44 -42.95 88.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 1.0 110.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' CD1' ' CD2' ' B' ' 247' ' ' LEU . 6.8 mt -67.75 -33.9 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.665 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 32' ' ' ASN . 37.7 mt-10 -69.71 -36.08 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.745 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.3 -51.29 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.884 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' H ' ' HG2' ' A' ' 30' ' ' GLN . 5.7 pt20 -62.37 -39.72 94.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.475 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 mmt-85 -85.89 -16.94 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.633 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 28' ' ' GLU . 65.8 m-20 55.49 39.83 31.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.224 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -136.07 153.71 76.99 Favored Pre-proline 0 N--CA 1.464 0.259 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.981 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.54 153.79 72.75 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.622 2.215 . . . . 1.0 112.008 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 33.9 ptt180 -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.19 -41.28 26.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.244 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.82 -38.52 89.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.586 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.65 -41.75 75.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.669 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -55.46 -43.79 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.207 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.98 -36.64 83.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.65 80.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.32 -54.54 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.369 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -50.14 -43.94 52.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.953 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.47 -38.62 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.693 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -62.67 -46.68 87.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.71 -41.91 98.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.39 -44.64 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.158 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -66.34 -40.76 90.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.592 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.498 ' OE1' ' NH2' ' B' ' 231' ' ' ARG . 89.2 mm-40 -63.96 -43.91 94.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.772 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -113.28 111.74 22.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.486 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -162.26 -43.91 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.625 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -145.84 160.18 42.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.384 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -144.75 -9.92 0.61 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.513 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -64.62 -37.06 86.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.588 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 83.5 m -61.08 -44.7 96.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.571 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 p -75.19 160.48 30.35 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.199 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 m -130.67 152.8 81.08 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.708 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -49.1 146.6 12.29 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.361 2.04 . . . . 1.0 112.162 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.0 -156.87 0.84 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.704 -0.958 . . . . 1.0 110.704 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.3 mt -97.49 121.28 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.839 0.352 . . . . 1.0 110.412 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -154.09 127.49 8.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.474 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -157.94 -23.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.528 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 65' ' ' CYS . . . 91.99 -36.09 3.78 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 64' ' ' GLY . 40.1 m 49.48 178.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 1.0 110.5 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 48.76 75.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.424 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -93.01 152.64 19.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.502 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -79.35 170.52 16.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.517 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.07 -179.77 38.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.34 -31.41 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.673 0.273 . . . . 1.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 56.95 41.28 27.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.539 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -137.47 85.1 2.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.483 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -138.69 -93.16 0.19 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' ARG . 20.5 mmm180 50.64 -128.66 2.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.608 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.3 mttp 44.79 -105.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.456 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -104.22 33.69 3.38 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.281 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 74' ' ' ARG . 75.1 ttt180 -59.75 -43.54 94.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.07 146.31 51.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 55.72 59.96 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.555 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.53 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.44 -41.34 98.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.554 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 37.9 m -155.94 156.5 34.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.468 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' B' ' 206' ' ' GLY . 0.4 OUTLIER -147.08 -174.85 4.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.263 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 54.6 7.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.494 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 206' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' B' ' 204' ' ' LEU . . . -73.35 168.1 53.97 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 88.2 mt -109.51 109.79 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.059 0.457 . . . . 1.0 110.384 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 208' ' ' ASP . 57.1 t0 -171.23 30.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.541 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.6 mtp -82.26 133.41 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -67.02 142.16 41.02 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.556 -1.018 . . . . 1.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -94.64 135.19 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 1.0 110.688 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' LEU . 89.8 mt -133.35 134.61 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.278 0.561 . . . . 1.0 110.059 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.68 135.66 33.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.6 tp -119.07 127.12 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.499 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -100.28 121.72 41.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 58.3 mt -120.67 -164.82 1.14 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 217' ' ' SER . . . . . 0.683 ' O ' ' N ' ' B' ' 219' ' ' GLU . 2.9 m -121.97 92.6 3.77 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 119.553 -0.859 . . . . 1.0 110.48 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 218' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 217' ' ' SER . 8.7 m120 21.88 -74.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 O-C-N 125.173 1.546 . . . . 1.0 112.388 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 219' ' ' GLU . . . . . 0.683 ' N ' ' O ' ' B' ' 217' ' ' SER . 96.8 mt-10 -50.06 -20.04 0.88 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.487 -1.688 . . . . 1.0 109.761 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 220' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 217' ' ' SER . 76.4 t -72.53 -43.66 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.278 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.92 -34.65 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.81 -45.33 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.372 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -55.18 -46.52 75.82 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.837 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.12 -38.14 87.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.356 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 225' ' ' ASP . . . . . 0.41 ' O ' HG23 ' B' ' 229' ' ' VAL . 28.3 t70 -58.27 -43.47 87.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -60.71 -41.72 95.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.894 0.378 . . . . 1.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -69.69 -40.73 76.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.512 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 229' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 225' ' ' ASP . 74.5 t -71.95 -51.88 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.859 -0.61 . . . . 1.0 111.153 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.58 -42.94 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.569 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.498 ' NH2' ' OE1' ' A' ' 50' ' ' GLN . 96.5 mtt-85 -79.44 -22.32 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 61.02 61.53 1.59 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.592 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -154.52 160.31 31.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.384 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.46 139.25 88.6 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.388 2.058 . . . . 1.0 111.943 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' B' ' 236' ' ' ALA . 20.6 ptp180 -63.32 -41.13 98.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.363 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' B' ' 235' ' ' ARG . . . -48.32 -39.48 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.12 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -66.17 -40.86 90.79 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.605 HD23 ' OE1' ' B' ' 241' ' ' GLU . 21.2 mt -63.31 -41.14 98.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 1.0 110.258 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 239' ' ' LEU . . . . . 0.598 HD13 HD21 ' A' ' 14' ' ' LEU . 92.4 mt -67.34 -45.96 74.86 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.629 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -52.89 -50.81 63.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.61 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 241' ' ' GLU . . . . . 0.605 ' OE1' HD23 ' B' ' 238' ' ' LEU . 3.9 pt-20 -65.66 -31.88 73.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.299 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.17 70.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.175 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.8 -51.22 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.187 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -52.79 -48.01 67.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -57.62 -41.33 81.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.924 0.393 . . . . 1.0 110.244 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.19 -43.66 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 247' ' ' LEU . . . . . 0.429 ' CD2' ' CD1' ' A' ' 27' ' ' LEU . 92.0 mt -62.14 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.801 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.84 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.291 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 249' ' ' ASN . . . . . 0.572 ' O ' ' NE2' ' B' ' 252' ' ' GLN . 59.0 t-20 -64.18 -38.48 91.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 1.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -87.42 31.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.1 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 80.4 p -129.88 45.1 2.86 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.645 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 252' ' ' GLN . . . . . 0.635 ' H ' ' CD ' ' B' ' 252' ' ' GLN . 0.5 OUTLIER -89.45 -7.09 55.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 253' ' ' THR . . . . . 0.522 ' O ' ' N ' ' B' ' 255' ' ' ARG . 43.5 p -91.19 1.97 56.7 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.375 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -54.34 83.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.456 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' B' ' 253' ' ' THR . 20.0 ptp180 -100.54 31.68 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.557 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 1.3 m 68.34 47.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.711 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 28.0 t -69.69 144.28 52.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.595 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 258' ' ' VAL . . . . . 0.7 HG13 ' O ' ' B' ' 258' ' ' VAL . 13.1 p -167.56 74.6 0.97 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.099 0.476 . . . . 1.0 110.388 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -59.91 141.7 97.08 Favored 'Trans proline' 0 C--N 1.302 -1.902 0 C-N-CA 122.593 2.196 . . . . 1.0 112.002 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 260' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' B' ' 262' ' ' TRP . . . -65.72 -34.86 90.04 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 21.5 tt -72.42 -16.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 1.0 110.692 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 262' ' ' TRP . . . . . 0.537 ' CD1' ' O ' ' B' ' 260' ' ' GLY . 86.7 m95 56.99 44.79 22.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.415 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? 63.39 111.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -152.54 -2.79 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.6 -38.21 90.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 110.68 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 266' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 267' ' ' GLU . 80.3 mm-40 -107.94 131.72 54.24 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.402 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 267' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 266' ' ' GLU . 94.7 mt-10 55.88 115.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.02 -18.59 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.498 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 82.95 72.78 1.26 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 9.0 p -133.14 138.18 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.935 0.398 . . . . 1.0 110.465 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 271' ' ' GLU . . . . . 0.48 ' N ' ' CD ' ' B' ' 271' ' ' GLU . 1.3 pm0 -151.06 143.88 24.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.135 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -94.81 108.95 20.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 273' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' B' ' 275' ' ' LYS . 99.2 mm-40 -137.32 -109.88 0.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.416 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 41.31 -89.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.612 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 275' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' B' ' 273' ' ' GLN . 98.8 mttt -75.11 -94.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 1.0 110.581 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' B' ' 275' ' ' LYS . 1.5 tp 43.8 -169.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.543 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -145.57 139.67 26.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.422 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 278' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' B' ' 279' ' ' GLU . 29.7 tp10 -147.7 48.9 1.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.436 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 279' ' ' GLU . . . . . 0.516 ' O ' ' CD1' ' B' ' 280' ' ' TRP . 97.3 mt-10 55.51 159.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.047 0.451 . . . . 1.0 110.6 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 280' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' B' ' 279' ' ' GLU . 5.4 m-90 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.659 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.8 t30 56.58 37.55 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.534 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -62.33 -44.2 97.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.647 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -156.31 13.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.433 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.07 -79.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.486 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 8' ' ' ASP . . . 65.08 -80.52 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 pt -72.12 16.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-O 120.797 0.332 . . . . 1.0 110.728 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' A' ' 6' ' ' GLY . 96.7 m-20 53.6 29.59 9.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.579 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.1 mtp 43.15 -165.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.544 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.84 -177.65 22.96 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -146.1 121.09 10.03 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.086 0.47 . . . . 1.0 110.328 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.4 146.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.6 mp -98.09 122.71 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 1.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.48 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.68 ' O ' HD22 ' A' ' 16' ' ' LEU . 91.5 m-20 -105.45 112.51 25.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.652 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -131.58 144.81 51.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.824 179.481 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 m -58.01 149.47 23.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.52 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -60.56 -37.48 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.552 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -55.95 -32.31 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 16' ' ' LEU . 77.5 t -72.29 -41.83 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -52.98 -38.79 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 109.827 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.08 -40.31 94.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.93 -46.64 80.8 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.069 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.07 -41.11 97.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.486 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.11 -50.23 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.486 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -58.92 -44.92 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.457 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.01 -34.27 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.793 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.81 -39.48 83.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.934 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -44.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.008 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -75.55 -16.79 60.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.797 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 55.66 33.48 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.347 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -127.51 158.12 70.82 Favored Pre-proline 0 C--O 1.224 -0.255 0 CA-C-O 121.0 0.428 . . . . 1.0 109.922 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.79 142.03 96.53 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.835 2.357 . . . . 1.0 112.911 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.8 -42.66 98.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.506 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.92 18.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.91 -38.09 87.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.65 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 33' ' ' LEU . 10.9 mt -66.07 -43.05 88.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.81 -45.67 88.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.556 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -59.25 -43.65 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.68 -42.34 98.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.767 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.86 82.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.0 t -71.25 -52.44 26.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.6 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -53.54 -46.03 70.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -55.05 -42.04 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -64.07 -41.48 97.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.411 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.49 -38.12 88.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.794 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.76 -43.79 96.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.897 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 51' ' ' SER . 41.9 t30 -64.64 -53.59 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.85 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -73.54 20.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.983 0.421 . . . . 1.0 110.582 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.498 ' H ' ' C ' ' A' ' 49' ' ' ASN . 24.2 p -87.41 -8.3 56.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -71.73 135.55 46.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.4 p 45.36 74.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.471 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.2 113.97 25.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.443 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.452 ' NH2' ' OE1' ' B' ' 230' ' ' GLN . 90.6 mtm180 -64.14 -37.77 88.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.614 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 55' ' ' ARG . 18.9 p 49.29 85.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.486 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 m -68.49 147.03 52.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.63 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 58' ' ' VAL . 2.9 m -49.39 151.67 2.59 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.667 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -45.16 156.32 0.3 Allowed 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.65 2.234 . . . . 1.0 112.274 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.28 103.2 0.24 Allowed Glycine 0 CA--C 1.519 0.32 0 N-CA-C 110.777 -0.929 . . . . 1.0 110.777 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mm -106.58 128.01 61.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.996 0.427 . . . . 1.0 110.578 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -153.57 37.47 0.47 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.489 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -71.06 133.29 46.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.568 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.6 93.37 0.09 OUTLIER Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 t -150.66 106.34 3.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.793 0.33 . . . . 1.0 110.465 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.639 ' CD ' ' H ' ' A' ' 66' ' ' GLU . 2.2 pm0 -50.48 150.45 2.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.572 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -151.85 -20.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.41 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.76 133.35 53.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.8 121.48 0.75 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.96 161.94 35.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 1.0 110.595 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -152.69 118.41 5.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.408 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -99.83 135.32 41.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.409 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -79.04 -56.01 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.718 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 51.11 66.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.621 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -68.53 135.2 51.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.518 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.577 ' N ' HD22 ' A' ' 76' ' ' LEU . 3.7 mm? -81.45 133.13 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.786 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' HE ' ' H ' ' A' ' 78' ' ' GLU . 7.7 tpm_? -98.57 130.23 45.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.61 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 78' ' ' GLU . 55.5 mp0 -74.26 144.98 44.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.548 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -115.49 -172.7 2.2 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.991 0.424 . . . . 1.0 110.487 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.628 -179.851 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 45.52 -161.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.524 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 71.9 m 56.05 84.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.675 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.562 HD22 ' N ' ' B' ' 204' ' ' LEU . 3.7 mm? -89.06 2.61 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.671 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 59.1 -173.43 0.1 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.558 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 65.05 36.08 92.59 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 17.7 mm -54.98 97.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.978 0.418 . . . . 1.0 110.507 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.451 ' OD2' ' O ' ' B' ' 208' ' ' ASP . 67.4 t0 -148.19 41.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.1 mtp -68.15 -173.06 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -121.53 176.77 16.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -135.74 127.31 28.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.956 0.408 . . . . 1.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 77.7 mt -134.12 147.44 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.487 HD12 ' N ' ' B' ' 213' ' ' LEU . 11.2 mp -100.71 133.09 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 1.0 110.347 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.735 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -133.15 140.49 47.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.563 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.735 ' H ' HD23 ' B' ' 214' ' ' LEU . 41.1 p-10 -117.19 120.13 37.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.627 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 66.4 mt -123.73 148.26 46.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.66 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.6 m -59.36 150.93 24.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.457 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.41 -37.96 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.531 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -56.89 -35.45 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.635 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.02 -43.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.5 mt -55.14 -38.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.65 -37.88 87.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.366 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.6 -47.36 75.97 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.973 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.44 88.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.555 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -54.43 -45.23 72.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.594 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.64 -46.66 88.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 227' ' ' LEU . . . . . 0.45 ' N ' HD12 ' B' ' 227' ' ' LEU . 11.1 mp -67.49 -29.21 68.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.976 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' B' ' 232' ' ' ASN . 25.9 tt0 -68.98 -42.68 76.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.113 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 76.3 t -65.9 -42.47 92.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.021 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 230' ' ' GLN . . . . . 0.452 ' OE1' ' NH2' ' A' ' 55' ' ' ARG . 52.4 mt-30 -56.82 -47.41 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.875 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -86.15 -23.59 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.668 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' B' ' 228' ' ' GLU . 64.6 t30 61.83 60.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.549 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -146.05 158.65 48.15 Favored Pre-proline 0 C--O 1.223 -0.324 0 CA-C-O 121.148 0.499 . . . . 1.0 110.582 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.94 141.72 97.07 Favored 'Trans proline' 0 C--N 1.3 -2.024 0 C-N-CA 122.74 2.293 . . . . 1.0 112.193 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -60.92 -42.1 97.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.47 -37.24 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.467 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.72 -39.14 80.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.574 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 238' ' ' LEU . 83.6 mt -63.83 -41.79 97.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.599 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 239' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 239' ' ' LEU . 91.3 mt -62.39 -43.23 99.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.67 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.44 -42.76 96.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.196 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.11 -45.81 91.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.706 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.96 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.556 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.33 -51.92 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.635 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -53.94 -49.33 68.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.209 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -55.58 -41.03 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -63.97 -43.73 94.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.55 -33.66 74.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.46 -43.5 96.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.572 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 249' ' ' ASN . . . . . 0.568 ' C ' ' H ' ' B' ' 251' ' ' SER . 63.6 t30 -64.08 -30.71 71.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.25 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 250' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' B' ' 251' ' ' SER . 94.8 mm-40 -69.46 27.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.571 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 251' ' ' SER . . . . . 0.568 ' H ' ' C ' ' B' ' 249' ' ' ASN . 1.7 p 76.12 7.53 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.616 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 45.29 86.42 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.658 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 69.3 p -75.81 162.0 28.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.445 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -160.69 126.73 3.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.593 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 52.45 55.01 9.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.446 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 21.8 m -61.94 -44.85 95.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.625 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 89.6 p -159.25 156.21 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.578 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.98 150.63 43.97 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -43.8 133.56 7.9 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.627 2.218 . . . . 1.0 112.119 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -87.12 177.89 47.84 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 21.3 pt -117.37 141.25 36.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.969 0.414 . . . . 1.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -130.96 139.34 50.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.014 0.435 . . . . 1.0 110.552 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 263' ' ' GLN . . . . . 0.615 ' CD ' ' H ' ' B' ' 263' ' ' GLN . 0.3 OUTLIER -93.28 47.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.336 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -70.04 165.22 51.28 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 5.8 p -138.69 16.27 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.71 0.29 . . . . 1.0 110.508 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -65.34 134.99 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.423 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -155.58 -44.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.563 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 46.8 t0 43.59 77.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.596 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -154.52 75.44 0.23 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 270' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 270' ' ' VAL . 8.4 p -150.9 -5.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.39 . . . . 1.0 110.677 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -51.25 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.519 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -156.62 163.31 39.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.683 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 273' ' ' GLN . . . . . 0.591 ' CD ' ' H ' ' B' ' 273' ' ' GLN . 1.6 pm0 -99.5 154.09 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.33 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 274' ' ' ARG . . . . . 0.467 ' N ' ' CD ' ' B' ' 274' ' ' ARG . 11.1 mpt_? -68.58 140.44 55.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.502 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -95.46 102.88 14.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.561 ' N ' HD22 ' B' ' 276' ' ' LEU . 4.0 mm? -64.51 -39.86 94.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.717 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 62.5 83.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.522 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 278' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 280' ' ' TRP . 78.8 mt-10 -63.56 -27.85 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.541 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 58.06 -79.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.448 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 280' ' ' TRP . . . . . 0.51 ' N ' ' O ' ' B' ' 278' ' ' GLU . 88.8 t90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 55.8 46.14 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.617 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m 55.16 88.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.482 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.0 tp -83.75 129.18 34.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.37 121.57 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.477 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.68 -174.21 39.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.688 -0.965 . . . . 1.0 110.688 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.93 115.65 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 120.959 0.409 . . . . 1.0 110.026 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.5 t0 59.84 47.35 10.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.544 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.3 mtp -60.68 170.1 1.58 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.422 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.98 173.53 16.77 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' HD2' HD12 ' B' ' 213' ' ' LEU . 58.9 ttp180 -147.84 137.62 22.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 1.0 110.517 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.569 HD12 ' CD1' ' B' ' 216' ' ' LEU . 55.1 mt -138.52 149.61 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.11 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 14' ' ' LEU . 1.2 tt -93.46 120.1 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 1.0 109.823 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.618 ' N ' HD23 ' A' ' 13' ' ' LEU . 42.5 tp -114.12 130.47 56.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 15' ' ' ASP . 45.9 p-10 -115.26 128.13 55.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.433 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.71 144.89 50.6 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.646 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -66.04 160.3 24.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.374 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -60.86 -37.46 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.369 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -60.26 -36.33 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.535 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.62 -43.32 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.4 mt -54.05 -38.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -64.58 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.123 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.97 -48.96 69.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.73 -40.85 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.554 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -55.8 -43.42 76.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.62 -41.93 95.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 1.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.87 -32.74 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 39.4 mt-10 -69.92 -39.93 75.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.693 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.48 -50.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.739 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -52.54 -48.9 65.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.443 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -89.12 -12.6 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 28' ' ' GLU . 40.3 m-80 58.99 30.84 20.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.442 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.29 157.42 41.15 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.406 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.47 156.27 61.84 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.627 2.218 . . . . 1.0 111.714 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 30.1 ptt180 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.498 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.02 -40.96 24.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.183 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -65.77 -38.89 90.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.126 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.32 -40.98 94.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.586 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.59 -46.61 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.636 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -60.22 -43.75 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.378 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.08 -42.86 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.54 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.11 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.113 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -68.33 -51.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.1 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -53.74 -48.17 69.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.11 -40.18 92.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.391 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.99 -41.57 96.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 52' ' ' GLN . 93.0 mt -61.28 -45.43 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.059 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -65.5 -41.08 93.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.794 0.331 . . . . 1.0 110.573 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.45 -44.44 87.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.775 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 53' ' ' THR . 68.2 m -78.29 -53.47 7.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.701 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' ILE . 53.1 tt0 54.03 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.543 ' N ' ' O ' ' A' ' 51' ' ' SER . 7.3 t -147.65 44.24 1.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.524 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.33 20.91 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.671 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 53.61 58.19 5.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.561 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.5 p -119.87 11.71 11.9 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -59.56 -43.29 93.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.472 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 m -80.51 149.39 68.26 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.559 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.43 147.55 71.47 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.713 2.275 . . . . 1.0 112.083 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.58 126.4 0.07 OUTLIER Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 pt -106.12 89.31 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.963 0.411 . . . . 1.0 110.487 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -147.77 155.23 41.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.444 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -144.15 82.6 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.88 -37.61 94.9 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' GLU . 1.1 t -58.08 -37.86 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 1.0 110.552 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 65' ' ' CYS . 84.3 tt0 51.62 101.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.429 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 52.83 -169.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.641 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -71.81 138.07 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.543 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.17 161.52 29.96 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.874 -0.89 . . . . 1.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.54 161.08 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.775 0.322 . . . . 1.0 110.446 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.21 98.69 7.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -61.77 -43.85 98.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -75.92 134.98 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -96.14 135.94 37.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.478 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -93.66 -3.84 51.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.627 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.56 135.25 49.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.383 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -152.25 134.74 15.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 80' ' ' TRP . 12.1 tm-20 -151.99 -51.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.552 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.434 ' O ' ' OXT' ' A' ' 80' ' ' TRP . 99.2 mt-10 51.84 82.87 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.664 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.461 ' N ' ' OE2' ' B' ' 278' ' ' GLU . 89.7 t90 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -86.2 106.84 17.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.586 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 85.9 p -163.03 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.684 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.533 ' N ' HD12 ' B' ' 204' ' ' LEU . 10.1 mp -63.13 -41.98 99.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.477 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -160.96 147.06 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -112.4 164.44 12.08 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.756 -0.938 . . . . 1.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 4.6 pt -93.8 93.56 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 1.0 110.437 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 51.1 37.39 17.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.515 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.3 mtp -97.95 121.3 39.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -68.01 140.19 35.72 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.687 -0.965 . . . . 1.0 110.687 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -97.04 134.16 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 1.0 110.443 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 6.8 mm -132.75 139.82 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.559 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.599 HD22 ' N ' ' B' ' 213' ' ' LEU . 4.0 mm? -90.52 128.46 36.56 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.352 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 44.1 tp -112.73 127.01 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.436 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 47.7 p-10 -99.91 132.69 45.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.463 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.569 ' CD1' HD12 ' A' ' 12' ' ' ILE . 13.6 mt -134.78 -166.11 1.77 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.512 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 153.36 51.59 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -56.09 -39.42 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.34 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.88 -39.42 94.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.788 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 1.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.4 mt -53.02 -39.1 31.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.938 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.28 -39.57 92.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.16 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.02 -49.05 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.054 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 224' ' ' LEU . . . . . 0.438 ' O ' ' CD ' ' B' ' 228' ' ' GLU . 61.2 mt -60.93 -42.82 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.709 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -50.87 -42.76 59.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.271 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.17 -42.34 90.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 1.0 110.04 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 227' ' ' LEU . . . . . 0.404 ' N ' HD12 ' B' ' 227' ' ' LEU . 7.9 mp -67.17 -34.59 77.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.396 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' B' ' 232' ' ' ASN . 1.3 mp0 -68.38 -36.05 78.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.929 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.81 -51.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.606 -0.438 . . . . 1.0 111.147 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 230' ' ' GLN . . . . . 0.405 ' H ' ' HG2' ' B' ' 230' ' ' GLN . 6.9 pt20 -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.507 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -85.28 -17.93 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.723 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' B' ' 228' ' ' GLU . 55.7 t-20 51.69 45.87 27.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.199 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.0 mt -138.79 153.2 71.85 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.895 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 153.04 76.66 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.614 2.209 . . . . 1.0 111.985 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.468 ' NH1' HD11 ' A' ' 12' ' ' ILE . 89.7 mtm180 -61.97 -44.94 95.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.542 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.16 -42.73 20.2 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.249 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.63 -39.79 91.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 1.0 110.488 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.472 ' CD1' ' OE1' ' B' ' 228' ' ' GLU . 56.8 mt -67.49 -40.64 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.93 -45.77 93.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.54 -43.06 79.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.079 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 241' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 245' ' ' GLN . 95.8 mt-10 -67.53 -37.41 82.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.605 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.61 74.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.81 -52.59 52.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.413 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.8 -50.04 57.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.948 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 245' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' B' ' 241' ' ' GLU . 1.2 mp0 -60.57 -41.27 94.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.178 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.1 -46.08 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.468 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.538 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.82 -46.53 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.279 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -63.37 -41.57 98.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 1.0 110.353 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -62.86 -43.49 98.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 33.4 t -142.29 77.43 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.565 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 252' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' B' ' 253' ' ' THR . 13.5 pt20 -74.44 -36.51 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.655 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 253' ' ' THR . . . . . 0.423 ' O ' ' O ' ' B' ' 252' ' ' GLN . 65.8 p 47.65 98.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.58 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -158.71 -54.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 44.52 89.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.61 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 96.6 m 53.87 92.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.529 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 9.8 m -159.03 -156.04 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 4.8 t -142.23 71.35 22.43 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.455 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.74 -37.37 75.69 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.698 2.266 . . . . 1.0 111.998 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 88.86 111.06 1.17 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 18.9 mm -92.91 127.52 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 1.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -43.06 116.08 0.85 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.515 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 22.9 tm0? -63.52 -40.79 97.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.529 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 172.64 -173.2 45.39 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 265' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' B' ' 265' ' ' CYS . 18.6 t -76.58 69.64 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.778 0.323 . . . . 1.0 110.531 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -65.49 -39.33 91.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.326 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 42.0 74.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 51.1 t0 42.05 85.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.645 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -60.52 129.31 46.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.77 -0.932 . . . . 1.0 110.77 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 12.9 p -146.56 148.62 16.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.609 0.242 . . . . 1.0 110.528 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -141.39 156.81 45.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 1.0 110.369 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -71.3 135.26 47.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.451 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -66.89 -35.37 79.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.578 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -64.06 127.23 30.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.549 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -164.97 103.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 64.1 mt -108.45 129.03 55.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.861 0.362 . . . . 1.0 110.358 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -79.62 44.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.631 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 278' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 80' ' ' TRP . 43.9 tt0 57.26 78.75 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 279' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' B' ' 278' ' ' GLU . 98.2 mt-10 56.7 153.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.951 0.405 . . . . 1.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.425 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -62.26 -42.22 99.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.556 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 58.51 91.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.718 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.86 -42.65 99.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.714 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.96 -173.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.552 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.11 18.62 60.61 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.014 -0.834 . . . . 1.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.8 mt -88.05 105.33 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.026 0.441 . . . . 1.0 110.006 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 36.8 p-10 -86.54 8.2 23.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.706 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.6 mtp -111.76 -176.65 2.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.52 139.08 10.34 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -97.68 138.34 35.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.842 0.353 . . . . 1.0 110.417 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -130.79 146.5 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 13' ' ' LEU . 11.2 mp -102.04 126.37 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.386 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 14' ' ' LEU . 42.6 tp -124.09 134.64 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.566 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 16' ' ' LEU . 45.9 p-10 -96.08 122.47 38.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.2 mm? -109.33 -173.26 2.22 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.69 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -128.72 145.37 51.19 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -53.26 -38.49 63.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.38 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -67.26 -41.24 85.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.547 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.0 -44.31 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.649 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.8 mt -52.89 -38.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.23 -38.74 91.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 1.0 110.417 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.22 -48.22 71.3 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.187 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.55 -42.73 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.8 t0 -56.82 -46.2 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.481 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.07 -47.58 85.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.65 -30.61 67.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.809 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 78.0 tt0 -70.53 -41.09 73.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.411 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 25' ' ' ASP . 65.0 t -65.11 -43.29 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.604 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.73 -40.31 92.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.712 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 58.45 38.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.52 153.83 72.88 Favored Pre-proline 0 C--O 1.226 -0.182 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.717 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.79 146.05 96.83 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.65 2.233 . . . . 1.0 112.071 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.562 HH22 HD12 ' B' ' 212' ' ' ILE . 59.9 ttp180 -60.33 -43.55 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.66 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.62 -40.32 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.396 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -66.4 -39.2 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.498 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.14 -41.36 94.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.843 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.51 -44.32 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.725 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.68 -42.64 97.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.434 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.97 -37.91 87.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.496 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.99 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.55 -52.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.22 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -53.51 -48.97 68.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.1 -40.07 92.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.497 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.415 ' OH ' ' NH2' ' B' ' 231' ' ' ARG . 89.5 t80 -61.42 -42.34 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.7 -42.92 94.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.4 -47.07 88.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 1.0 110.173 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -65.06 -33.43 76.03 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.319 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 21.6 tp60 -64.45 -40.6 96.02 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 120.902 -0.319 . . . . 1.0 110.535 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 52' ' ' GLN . 46.8 t -74.33 170.92 14.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' ALA . 5.7 tp-100 56.0 113.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.287 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m 66.99 -64.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.507 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . 62.68 111.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.506 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -140.74 101.41 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.376 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.3 m -128.64 111.31 13.05 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.519 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.2 p -82.27 161.04 22.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.461 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.39 151.66 37.12 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.707 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.53 148.9 87.98 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.756 2.304 . . . . 1.0 112.048 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.55 95.23 0.46 Allowed Glycine 0 N--CA 1.463 0.482 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 61' ' ' ILE . 20.4 tt -138.03 132.05 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.919 0.39 . . . . 1.0 110.468 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -158.65 134.46 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.517 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 1.1 pm0 -142.98 117.64 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.386 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' CYS . . . -65.55 -39.39 95.52 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.204 -0.758 . . . . 1.0 111.204 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 64' ' ' GLY . 55.7 m 54.62 165.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 1.0 110.516 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -156.73 157.71 35.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.482 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -143.93 137.9 28.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.397 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -153.51 89.01 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.53 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.78 59.68 0.48 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.24 -25.31 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 1.0 110.657 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 59.28 89.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.47 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -104.32 136.11 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.029 0.442 . . . . 1.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' A' ' 74' ' ' ARG . 79.4 mt-30 -137.16 164.73 27.77 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.335 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 73' ' ' GLN . 79.7 mtp85 58.21 139.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.631 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 76' ' ' LEU . 62.0 pttt -107.71 -3.88 18.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.673 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 75' ' ' LYS . 66.5 mt 53.43 107.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.503 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -153.24 69.03 0.81 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.453 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -91.9 -9.12 44.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.608 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -114.47 136.94 52.46 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.982 0.42 . . . . 1.0 110.523 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.469 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 77.9 mtp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -97.98 7.06 46.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 86.3 p -65.76 157.78 29.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 63.3 mt -91.36 125.7 36.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.434 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -72.51 142.4 48.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.503 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 165.93 134.6 1.7 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.769 -0.932 . . . . 1.0 110.769 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 207' ' ' ILE . . . . . 0.454 HG22 ' H ' ' B' ' 209' ' ' MET . 88.7 mt -110.87 116.71 53.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.976 0.417 . . . . 1.0 110.281 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' B' ' 208' ' ' ASP . 66.0 t0 -107.15 36.92 2.51 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.442 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 209' ' ' MET . . . . . 0.454 ' H ' HG22 ' B' ' 207' ' ' ILE . 81.9 mmm -106.19 123.34 47.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.309 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -71.13 -176.17 22.83 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -126.91 123.04 36.29 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.666 0.269 . . . . 1.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.562 HD12 HH22 ' A' ' 35' ' ' ARG . 43.4 mm -117.68 151.1 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.67 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 6.6 tp -107.52 124.46 49.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.7 tp -117.69 131.95 56.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -112.13 123.18 49.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.612 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 57.0 mt -133.85 145.42 49.67 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.754 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.1 m -58.32 152.87 16.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.477 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -60.46 -29.33 68.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.07 -36.87 84.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.88 -42.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.504 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.6 mt -54.64 -37.62 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.975 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -65.6 -36.62 84.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.152 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.52 -47.14 73.86 Favored 'General case' 0 CA--C 1.527 0.059 0 CA-C-O 121.145 0.497 . . . . 1.0 109.919 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.19 -41.72 94.3 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.625 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 225' ' ' ASP . . . . . 0.406 ' CG ' HH21 ' B' ' 235' ' ' ARG . 67.9 t0 -59.06 -46.29 88.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.532 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -61.63 -40.42 94.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.461 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.73 -27.46 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.741 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.22 -42.35 75.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.903 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.72 -43.84 95.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.466 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.73 -40.15 94.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.668 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.711 HH11 HD22 ' B' ' 238' ' ' LEU . 99.6 mtt180 -82.46 -20.77 36.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 55.69 40.5 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.8 mt -132.89 152.9 80.66 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.936 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.89 142.15 93.08 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.662 2.241 . . . . 1.0 112.308 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.406 HH21 ' CG ' ' B' ' 225' ' ' ASP . 84.2 mtt85 -61.65 -41.96 98.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.654 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -49.44 -41.55 40.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.392 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 237' ' ' ASP . . . . . 0.417 ' O ' ' OD2' ' B' ' 237' ' ' ASP . 65.4 t0 -68.06 -39.2 83.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.552 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.711 HD22 HH11 ' B' ' 231' ' ' ARG . 88.7 mt -65.36 -42.98 92.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.453 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.12 -41.84 99.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.66 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 240' ' ' ARG . . . . . 0.487 HH21 ' CG ' ' A' ' 15' ' ' ASP . 43.9 ttm180 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 -37.93 78.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.548 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.63 97.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.124 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.2 -54.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.23 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -52.26 -47.57 65.72 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.162 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -63.81 -40.81 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.788 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 246' ' ' TYR . . . . . 0.478 ' CE2' ' CD ' ' B' ' 250' ' ' GLN . 41.3 t80 -59.68 -43.78 93.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.64 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.84 -39.7 92.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.003 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.76 -45.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -65.36 -41.1 94.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 1.0 110.469 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 250' ' ' GLN . . . . . 0.478 ' CD ' ' CE2' ' B' ' 246' ' ' TYR . 77.2 mt-30 -63.49 -43.04 98.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.743 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 55.1 m -81.27 -174.19 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 252' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' B' ' 254' ' ' ALA . 77.3 mt-30 49.39 -178.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.43 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 3.7 m 61.37 -71.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.673 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 254' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 252' ' ' GLN . . . 54.28 101.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.418 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.555 ' C ' ' H ' ' B' ' 257' ' ' SER . 99.8 mtt180 -93.18 99.28 11.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.575 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 256' ' ' THR . . . . . 0.533 ' C ' ' H ' ' B' ' 258' ' ' VAL . 2.5 m 68.65 -17.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.668 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 257' ' ' SER . . . . . 0.555 ' H ' ' C ' ' B' ' 255' ' ' ARG . 3.9 t 64.95 -8.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.677 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 258' ' ' VAL . . . . . 0.711 HG13 ' O ' ' B' ' 258' ' ' VAL . 10.7 p -173.29 77.41 0.4 Allowed Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.178 0.513 . . . . 1.0 110.277 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.33 -37.31 71.16 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.652 2.235 . . . . 1.0 112.016 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 86.63 91.81 0.93 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.31 -43.47 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.737 0.303 . . . . 1.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -71.66 140.08 49.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.38 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -144.76 -54.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.552 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -79.65 168.98 53.08 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 8.9 m -134.83 132.63 38.87 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.885 0.374 . . . . 1.0 110.462 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -78.38 123.4 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.473 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -92.66 118.74 31.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -82.83 167.96 17.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -171.1 75.39 0.1 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 270' ' ' VAL . . . . . 0.54 HG23 ' H ' ' B' ' 271' ' ' GLU . 0.9 OUTLIER -60.56 -99.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.675 0.274 . . . . 1.0 110.477 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 271' ' ' GLU . . . . . 0.54 ' H ' HG23 ' B' ' 270' ' ' VAL . 72.9 mm-40 55.32 91.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.421 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -78.42 139.44 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.607 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -79.86 120.91 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.452 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -142.02 24.5 1.99 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.627 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -66.97 135.53 53.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.264 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' B' ' 278' ' ' GLU . 15.3 tp -141.83 89.28 2.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.697 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 41.06 -89.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.718 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 278' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' B' ' 276' ' ' LEU . 80.6 mm-40 -63.81 139.07 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.544 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.38 -31.66 72.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.602 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpt? . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 56.08 32.29 19.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -158.69 149.24 19.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.536 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -87.23 136.73 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 1.0 110.272 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.9 89.73 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.637 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' A' ' 8' ' ' ASP . . . -154.28 30.63 0.71 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 7' ' ' ILE . 95.9 mt -63.63 3.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 1.0 110.633 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 6' ' ' GLY . 34.3 t0 60.01 26.32 15.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.351 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.7 mtp -140.15 125.81 19.26 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.523 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 142.86 48.44 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.4 HH11 HD12 ' B' ' 213' ' ' LEU . 64.0 ttm-85 -99.87 117.81 34.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.041 0.448 . . . . 1.0 110.14 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -115.75 140.14 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-O 121.065 0.459 . . . . 1.0 110.594 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 13' ' ' LEU . 11.3 mp -98.64 125.89 44.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.032 0.444 . . . . 1.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -124.87 137.01 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.347 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 30.9 p-10 -125.99 136.07 52.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp -135.71 154.64 51.2 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -60.06 149.45 32.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.361 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -56.26 -39.62 72.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.383 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.65 -37.3 75.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.581 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.2 -43.95 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.575 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.28 -38.62 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.592 -0.521 . . . . 1.0 109.592 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.14 -37.48 87.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.477 ' O ' HD13 ' A' ' 27' ' ' LEU . 86.1 mt-30 -66.55 -46.95 74.42 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.73 -41.73 99.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.66 -47.66 84.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.94 -44.84 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 23' ' ' GLN . 6.7 mp -69.31 -30.95 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.863 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -67.55 -42.21 83.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.64 -43.34 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.626 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.95 -43.24 96.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.965 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HB2' HD11 ' A' ' 33' ' ' LEU . 30.9 mmt180 -69.35 -37.15 77.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' ARG . 2.7 m120 75.19 51.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -156.2 158.0 31.39 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.18 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 145.84 93.46 Favored 'Trans proline' 0 C--N 1.299 -2.061 0 C-N-CA 122.51 2.14 . . . . 1.0 112.295 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 35.1 ptt180 -61.18 -41.71 97.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.419 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.24 -40.21 33.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.164 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.68 -38.04 89.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.287 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.98 -41.88 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.017 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.82 -45.23 90.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.877 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.32 -43.01 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.34 -42.97 95.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.814 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.69 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.498 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -69.16 -52.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.577 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -55.77 -48.17 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 1.0 109.937 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -56.04 -40.94 74.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.729 0.3 . . . . 1.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.62 -39.09 90.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.721 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.74 -40.11 91.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.59 -46.85 94.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.321 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.501 ' C ' ' H ' ' A' ' 51' ' ' SER . 40.7 t30 -64.83 -52.17 58.17 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.643 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.511 ' OE1' HD22 ' B' ' 227' ' ' LEU . 3.7 pp0? -74.4 22.27 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.983 0.421 . . . . 1.0 110.546 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 49' ' ' ASN . 27.4 p -89.68 -16.76 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.462 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -138.62 136.63 36.14 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.069 0.461 . . . . 1.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 p -100.77 114.18 27.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.413 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 55' ' ' ARG . . . -163.94 158.47 19.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.629 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' ALA . 82.9 mtp180 45.41 95.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.437 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.3 p -79.8 130.38 35.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.512 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.9 t -98.16 179.0 4.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 1.0 110.448 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.1 m -135.82 58.28 22.99 Favored Pre-proline 0 N--CA 1.462 0.163 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.5 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.72 -16.44 37.7 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.918 2.412 . . . . 1.0 112.162 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.36 146.44 49.56 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 110.667 -0.973 . . . . 1.0 110.667 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.5 mt -106.18 124.89 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 121.005 0.431 . . . . 1.0 110.309 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -86.48 -51.33 6.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -61.72 136.0 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.131 0.491 . . . . 1.0 110.703 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.15 162.89 21.0 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.7 t -84.71 125.36 32.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 67' ' ' GLU . 1.9 pp20? -71.47 138.45 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.539 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 72.4 mm-40 -68.45 130.48 43.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.522 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -71.74 -5.61 35.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.657 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.85 151.21 21.04 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' GLU . 10.3 p -150.95 -14.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.738 0.304 . . . . 1.0 110.632 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 70' ' ' VAL . 44.2 tt0 56.71 111.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -82.24 161.49 22.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.588 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 73' ' ' GLN . 1.7 mp0 -66.35 -29.63 69.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.616 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 57.2 76.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.098 0.475 . . . . 1.0 110.4 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -95.44 117.45 30.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.736 HD23 ' N ' ' A' ' 76' ' ' LEU . 1.3 pt? -164.44 146.5 8.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.524 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 mmp_? -76.49 -77.04 0.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.179 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -172.79 94.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.513 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 54.04 88.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.47 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.512 179.948 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 95.9 mtp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ASN . . . . . 0.44 ' ND2' ' H ' ' B' ' 202' ' ' ASN . 1.6 p30 -79.99 -100.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 1.0 110.64 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 89.8 p -150.86 127.62 10.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.723 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.13 142.25 36.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.307 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -97.67 110.59 23.13 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.037 0.446 . . . . 1.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 130.73 38.14 0.3 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 4.7 pt -87.65 94.1 4.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.976 0.417 . . . . 1.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' B' ' 209' ' ' MET . 63.8 t0 -113.19 33.46 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 209' ' ' MET . . . . . 0.44 ' O ' ' O ' ' B' ' 208' ' ' ASP . 73.0 mtp 52.18 170.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 1.0 110.492 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -107.57 -165.34 21.77 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -155.04 124.33 6.34 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.029 0.442 . . . . 1.0 110.369 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.437 ' C ' HD22 ' B' ' 213' ' ' LEU . 57.5 mt -138.03 145.8 28.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.077 0.465 . . . . 1.0 110.505 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.5 HD22 ' N ' ' B' ' 213' ' ' LEU . 4.1 mm? -98.83 118.48 35.66 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.963 0.411 . . . . 1.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 214' ' ' LEU . 34.8 tp -114.25 130.01 56.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.494 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -105.79 122.04 45.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.917 0.389 . . . . 1.0 110.705 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.7 mt -130.73 137.43 49.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 6.1 m -58.44 158.03 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -61.31 -38.63 87.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.66 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 219' ' ' GLU . . . . . 0.457 ' OE1' ' NE2' ' B' ' 223' ' ' GLN . 14.8 tm-20 -59.01 -39.13 80.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.769 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.7 -44.41 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.12 -36.45 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.787 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.77 -36.81 84.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 223' ' ' GLN . . . . . 0.457 ' NE2' ' OE1' ' B' ' 219' ' ' GLU . 93.2 mt-30 -67.33 -48.49 67.39 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.92 -42.31 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -57.66 -43.01 84.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.734 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.65 -41.32 94.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.55 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 227' ' ' LEU . . . . . 0.511 HD22 ' OE1' ' A' ' 50' ' ' GLN . 49.4 mt -73.08 -29.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.839 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.43 -46.29 73.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 94.5 t -68.26 -42.41 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.08 -32.14 6.42 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 14.9 mmm180 -102.99 -88.93 0.39 Allowed 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.404 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 231' ' ' ARG . 1.1 m120 165.8 19.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 56.0 mt -127.31 147.59 62.73 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.79 0.329 . . . . 1.0 110.981 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.85 170.5 18.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.817 2.345 . . . . 1.0 111.83 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' B' ' 236' ' ' ALA . 34.5 ptt-85 -63.98 -42.24 97.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.336 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' B' ' 235' ' ' ARG . . . -48.09 -38.98 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.182 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -72.51 -40.3 66.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.933 0.397 . . . . 1.0 110.782 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -37.19 81.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.371 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 239' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' B' ' 239' ' ' LEU . 85.3 mt -61.06 -41.86 97.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.61 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.91 -43.6 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.27 -42.0 76.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.26 86.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.985 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.17 -51.57 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.828 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.65 -46.43 70.55 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -63.76 -40.1 95.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.388 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.36 -42.86 99.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 247' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 247' ' ' LEU . 94.6 mt -59.92 -43.71 94.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.304 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.18 -44.57 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -63.41 -27.42 69.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.018 -0.364 . . . . 1.0 110.018 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -82.45 -41.27 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 251' ' ' SER . . . . . 0.412 ' C ' ' N ' ' B' ' 253' ' ' THR . 34.6 m -70.26 -40.21 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.719 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 54.79 10.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.552 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 253' ' ' THR . . . . . 0.412 ' N ' ' C ' ' B' ' 251' ' ' SER . 14.8 t -147.95 163.03 38.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.588 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 52.69 70.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.515 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.452 ' O ' ' OG1' ' B' ' 256' ' ' THR . 41.0 ttm180 -95.81 110.46 22.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.235 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 256' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 255' ' ' ARG . 19.6 m -168.24 67.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.554 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 83.5 p -77.49 164.37 25.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.9 m -148.32 72.81 10.96 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.486 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -61.39 145.92 97.71 Favored 'Trans proline' 0 C--N 1.298 -2.109 0 C-N-CA 122.8 2.333 . . . . 1.0 111.975 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 56.52 68.65 1.58 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 261' ' ' ILE . . . . . 0.535 ' O ' ' NE2' ' B' ' 263' ' ' GLN . 36.3 pt -72.34 -20.74 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.934 0.397 . . . . 1.0 110.735 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -81.3 122.24 27.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.518 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 263' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 261' ' ' ILE . 27.4 mp0 -84.19 128.91 34.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.536 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -175.9 -148.78 7.08 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 15.5 t -71.61 81.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.031 0.443 . . . . 1.0 110.521 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -102.03 91.22 4.24 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.328 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 52.4 68.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.446 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -149.13 16.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.568 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -72.12 102.57 1.17 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.37 -45.84 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.377 . . . . 1.0 110.464 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 271' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' B' ' 273' ' ' GLN . 0.0 OUTLIER -114.55 -176.58 2.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.386 -179.787 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 36.3 t80 59.65 -72.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.279 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 273' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' B' ' 271' ' ' GLU . 88.0 mt-30 -63.3 138.32 58.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.578 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -73.24 148.43 43.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 1.0 110.561 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -134.03 142.57 47.65 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.125 0.488 . . . . 1.0 110.439 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 72.7 mt -99.65 102.42 13.9 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.514 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -67.02 -39.86 87.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.802 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 278' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' B' ' 279' ' ' GLU . 96.3 mt-10 -57.47 -79.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.591 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 279' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' B' ' 278' ' ' GLU . 82.6 tt0 54.72 107.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.568 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 86.4 m95 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.902 -1.047 . . . . 1.0 110.597 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.29 40.04 30.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -80.5 -52.91 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 4' ' ' LEU . 11.3 mp -95.38 132.58 40.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 1.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.05 61.15 1.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.495 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.43 157.6 52.06 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.0 mm -99.39 104.79 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.061 0.458 . . . . 1.0 110.315 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' A' ' 9' ' ' MET . 63.9 t0 -103.33 78.31 1.6 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.597 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.504 ' O ' ' O ' ' A' ' 8' ' ' ASP . 0.9 OUTLIER 55.01 121.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.218 0.532 . . . . 1.0 110.7 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -46.35 -24.3 1.55 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' GLY . 67.2 ttp85 59.28 121.71 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.942 0.401 . . . . 1.0 110.301 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 13' ' ' LEU . 91.0 mt -129.67 155.87 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.017 0.437 . . . . 1.0 110.395 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' O ' HD22 ' A' ' 14' ' ' LEU . 12.0 mt -102.63 129.06 49.09 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.251 0.548 . . . . 1.0 110.643 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.507 HD22 ' O ' ' A' ' 13' ' ' LEU . 3.7 mm? -117.36 133.5 55.9 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.941 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -111.89 128.71 56.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.614 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.48 143.15 48.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.797 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -62.29 151.85 35.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -58.23 -24.53 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.34 -39.91 71.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.671 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.61 -42.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.708 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.3 mt -56.52 -39.67 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -64.45 -35.39 80.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.361 -0.381 . . . . 1.0 109.999 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.14 -45.95 68.81 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.009 0.433 . . . . 1.0 109.85 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.4 -42.92 98.81 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 29' ' ' VAL . 66.4 t0 -57.11 -48.7 77.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.684 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.69 -47.56 85.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.82 -32.41 73.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.723 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -65.62 -38.9 90.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.878 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 25' ' ' ASP . 71.0 t -62.21 -42.09 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.773 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.544 ' C ' ' HE ' ' A' ' 31' ' ' ARG . 98.1 mt-30 -64.82 -44.29 90.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.026 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.717 ' HE ' ' N ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -74.16 -24.91 59.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.781 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 57.08 46.22 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 1.0 110.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -140.52 160.92 57.42 Favored Pre-proline 0 C--O 1.219 -0.515 0 CA-C-O 121.118 0.485 . . . . 1.0 109.98 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 142.55 97.87 Favored 'Trans proline' 0 C--N 1.299 -2.065 0 C-N-CA 122.86 2.373 . . . . 1.0 113.26 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -61.06 -41.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.518 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.08 -38.35 24.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.445 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.51 -38.47 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.652 ' HG ' HD21 ' A' ' 33' ' ' LEU . 39.7 mt -65.7 -44.59 85.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.873 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.59 -44.42 90.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.804 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.06 -44.11 82.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.188 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.12 -39.62 94.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.532 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.94 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.263 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.08 -52.49 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -52.56 -44.56 65.94 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -62.39 -39.85 94.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.297 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -62.21 -41.79 98.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 1.0 110.198 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.73 -41.95 99.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.03 -44.66 98.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.246 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 53' ' ' THR . 64.9 t30 -65.72 -35.41 80.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.237 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.82 24.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.486 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 52' ' ' GLN . 18.5 p -140.92 -54.29 0.49 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.603 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' N ' ' OG ' ' A' ' 51' ' ' SER . 97.3 mm-40 -64.48 -44.37 91.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.674 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.571 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 6.7 p -143.29 -175.49 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.544 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 53' ' ' THR . . . 74.08 -64.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 46.53 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.476 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 54' ' ' ALA . 2.6 t -81.45 171.43 14.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.466 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -62.55 140.71 58.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.466 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.67 143.64 15.83 Favored Pre-proline 0 N--CA 1.443 -0.82 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.212 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -45.97 133.23 14.49 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.554 2.17 . . . . 1.0 112.706 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.53 -61.44 0.52 Allowed Glycine 0 N--CA 1.464 0.529 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 pt -106.11 143.03 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.953 0.406 . . . . 1.0 110.579 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.518 ' O ' ' N ' ' A' ' 64' ' ' GLY . 98.0 m95 -83.83 5.38 25.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.551 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 62.04 -71.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.469 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 62' ' ' TRP . . . 82.3 94.12 0.54 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.5 t -82.59 133.58 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 1.0 110.426 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -129.23 156.17 44.39 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.466 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -55.52 141.72 35.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.617 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -143.24 117.2 9.39 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.428 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.4 -156.87 37.76 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.691 -0.964 . . . . 1.0 110.691 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 72' ' ' TYR . 68.3 t -121.48 127.54 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.878 0.371 . . . . 1.0 110.321 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -80.02 -40.11 28.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.767 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.483 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 89.7 t80 -128.72 146.4 50.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.087 0.47 . . . . 1.0 110.458 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.479 ' CD ' ' N ' ' A' ' 73' ' ' GLN . 2.5 pm0 -146.71 163.47 35.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.275 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -128.95 149.27 50.87 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.425 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -90.56 140.86 29.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.434 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 pp -78.42 -19.04 54.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.303 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -133.95 126.62 30.73 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.296 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -157.53 110.08 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.458 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.7 pm0 -108.36 60.32 0.61 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.434 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.542 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' B' ' 201' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' B' ' 204' ' ' LEU . 36.8 t-20 -134.97 126.48 28.68 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.543 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 1.9 t 72.17 -27.19 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.7 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' B' ' 202' ' ' ASN . 7.1 tp -61.89 -42.64 99.32 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.446 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -66.01 140.1 58.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.259 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -130.83 57.77 0.72 Allowed Glycine 0 N--CA 1.465 0.597 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 84.4 mt -105.54 107.58 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.007 0.432 . . . . 1.0 110.176 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -151.78 85.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.544 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.8 mmm -74.15 169.26 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.341 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -117.4 -176.44 17.43 Favored Glycine 0 N--CA 1.465 0.598 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -141.33 127.12 19.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.069 0.461 . . . . 1.0 110.533 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 93.9 mt -135.59 140.26 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.549 HD12 ' N ' ' B' ' 213' ' ' LEU . 9.7 mp -98.87 130.29 45.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.298 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.717 HD13 ' N ' ' B' ' 215' ' ' ASP . 0.2 OUTLIER -123.36 135.16 54.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.092 179.449 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.717 ' N ' HD13 ' B' ' 214' ' ' LEU . 4.3 m-20 -95.49 119.62 34.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.675 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 9' ' ' MET . 3.5 mm? -109.13 -169.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.898 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.2 t -130.63 149.58 52.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -56.76 -38.52 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.347 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.9 -41.95 90.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.0 t -69.31 -45.01 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.604 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 89.9 mt -53.19 -35.17 22.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.269 -0.423 . . . . 1.0 109.877 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -66.31 -39.01 89.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.024 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.25 -46.87 78.8 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.994 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 224' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 89.6 mt -63.76 -42.27 97.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.668 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -57.33 -46.97 82.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -61.47 -45.93 92.19 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.433 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.91 -34.1 77.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.819 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' B' ' 228' ' ' GLU . 0.0 OUTLIER -65.61 -41.76 92.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.746 -179.442 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.14 -33.59 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.935 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.48 -37.01 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.31 0.381 . . . . 1.0 110.104 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 57.3 mtm180 -105.35 -88.49 0.44 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.677 -0.409 . . . . 1.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.551 ' C ' HD12 ' B' ' 233' ' ' LEU . 22.9 t30 168.22 18.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.601 0.563 . . . . 1.0 110.386 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.551 HD12 ' C ' ' B' ' 232' ' ' ASN . 11.3 mp -111.27 151.22 43.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.774 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.35 159.39 49.52 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.641 2.227 . . . . 1.0 111.94 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.5 ptt180 -64.98 -44.54 89.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.712 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.98 -39.19 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.249 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.88 -39.22 76.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.963 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.466 HD21 HH21 ' B' ' 231' ' ' ARG . 21.0 mt -68.3 -39.29 82.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.654 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.09 -42.71 99.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.488 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 -60.95 -41.41 96.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.279 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.05 -37.94 89.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.686 0.279 . . . . 1.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.49 98.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.204 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.22 -52.36 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.157 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -53.65 -48.97 68.9 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.57 -40.59 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.433 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 246' ' ' TYR . . . . . 0.45 ' O ' ' OE1' ' B' ' 250' ' ' GLN . 76.3 t80 -60.92 -42.8 98.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.87 -40.39 88.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.944 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.54 -44.69 99.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 123.36 0.413 . . . . 1.0 110.112 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 249' ' ' ASN . . . . . 0.606 ' C ' ' H ' ' B' ' 251' ' ' SER . 60.5 t-20 -63.38 -36.23 83.02 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.97 -0.382 . . . . 1.0 109.97 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 250' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' B' ' 251' ' ' SER . 2.9 mp0 -65.55 37.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 251' ' ' SER . . . . . 0.606 ' H ' ' C ' ' B' ' 249' ' ' ASN . 0.9 OUTLIER 84.49 -87.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 119.322 -0.37 . . . . 1.0 110.132 -178.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 252' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' B' ' 251' ' ' SER . 32.7 tt0 166.58 124.84 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.427 0.455 . . . . 1.0 110.098 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 12.0 m -100.48 96.53 7.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.849 0.356 . . . . 1.0 110.612 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -130.56 120.68 24.42 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.036 0.446 . . . . 1.0 110.424 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -99.11 41.11 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.304 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 59.8 m -97.9 119.24 36.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.993 0.425 . . . . 1.0 110.333 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 31.2 p -159.16 161.62 36.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.53 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.4 71.45 21.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.78 141.85 98.26 Favored 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.79 2.327 . . . . 1.0 111.94 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 143.5 -170.31 25.63 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 261' ' ' ILE . . . . . 0.474 HG22 ' H ' ' B' ' 263' ' ' GLN . 96.5 mt -77.61 136.76 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 1.0 110.724 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -55.95 -43.82 77.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.352 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 263' ' ' GLN . . . . . 0.474 ' H ' HG22 ' B' ' 261' ' ' ILE . 99.4 mt-30 -96.03 58.73 1.91 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.279 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -54.19 125.72 34.42 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 2.3 p -106.87 3.79 26.67 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.611 0.243 . . . . 1.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -56.78 140.49 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.514 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -76.82 162.54 27.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.675 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 268' ' ' ASP . . . . . 0.445 ' O ' ' OD2' ' B' ' 268' ' ' ASP . 44.4 p-10 -70.59 115.82 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.042 0.449 . . . . 1.0 110.485 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 149.6 53.73 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.44 133.25 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 1.0 110.476 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 271' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 272' ' ' TYR . 12.7 pt-20 -149.71 -166.21 2.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.596 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 272' ' ' TYR . . . . . 0.441 ' O ' ' O ' ' B' ' 271' ' ' GLU . 71.4 t80 56.85 114.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.441 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 273' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' B' ' 275' ' ' LYS . 5.4 tp-100 -65.1 124.72 22.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.469 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -52.61 84.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.618 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 275' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 273' ' ' GLN . 37.3 ttmt -151.23 107.6 3.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.563 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 276' ' ' LEU . 9.3 mp 43.15 97.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.526 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.65 -41.83 99.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -164.42 -32.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.318 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -142.61 163.27 33.26 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.479 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 4.4 m0 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.518 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mmm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.76 -40.04 94.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.56 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -151.94 160.14 43.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 6' ' ' GLY . 47.0 mt 57.26 178.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.45 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.78 -71.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.663 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . 68.08 -124.67 20.4 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.799 -0.921 . . . . 1.0 110.799 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.5 mt -100.67 111.02 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.433 . . . . 1.0 110.232 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -133.33 87.91 2.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.648 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp 55.34 -169.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.366 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.59 128.28 7.75 Favored Glycine 0 N--CA 1.466 0.665 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.59 139.64 38.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 1.0 110.763 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 13' ' ' LEU . 96.5 mt -139.71 155.51 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.425 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' N ' HG22 ' A' ' 12' ' ' ILE . 33.3 tp -119.34 125.49 49.17 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.8 tp -121.51 131.12 53.96 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.544 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -108.38 117.27 33.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.708 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' O ' ' A' ' 17' ' ' SER . 60.1 mt -132.01 145.02 51.19 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.745 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 16' ' ' LEU . 75.7 m -55.45 -158.59 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -110.96 -27.84 8.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.673 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -67.76 -29.71 68.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.288 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.35 -43.61 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.38 -36.57 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -66.35 -37.91 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.218 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -65.43 -48.61 72.17 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.98 -39.42 85.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.7 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 29' ' ' VAL . 22.8 t70 -55.82 -42.12 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.554 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.0 -43.15 99.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.4 mp -75.98 -29.27 58.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.653 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' ASN . 15.6 tm-20 -75.48 -40.22 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.835 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 25' ' ' ASP . 42.3 t -62.18 -50.91 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.648 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -58.32 -44.41 88.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.29 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.516 ' NH1' ' OH ' ' B' ' 246' ' ' TYR . 90.1 mtt180 -72.64 -34.47 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.975 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLU . 3.1 t30 63.48 52.13 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 15.9 mt -139.61 154.4 71.23 Favored Pre-proline 0 C--O 1.222 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.3 145.46 93.33 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.647 2.231 . . . . 1.0 112.273 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -60.77 -47.56 85.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.829 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.94 -42.06 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.391 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -64.79 -38.72 91.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.821 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.55 -40.55 89.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.799 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.84 -47.69 82.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.868 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.8 ttm-85 -60.45 -42.52 96.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.4 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -68.46 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.16 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.405 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.59 -53.72 32.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -50.58 -45.23 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.048 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -56.57 -40.78 75.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.39 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.27 -42.69 99.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.26 -39.26 86.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.666 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.74 -44.91 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.12 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -61.84 -39.92 93.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.168 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -62.23 -42.26 99.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.592 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -50.15 -39.06 42.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.393 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.507 ' C ' ' H ' ' A' ' 54' ' ' ALA . 51.9 tt0 -50.99 160.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 54' ' ' ALA . 76.5 p -72.23 18.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.691 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' A' ' 52' ' ' GLN . . . 58.97 147.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.533 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -142.75 -57.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.679 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 58' ' ' VAL . 17.2 m -63.38 -45.18 92.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.438 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.726 ' O ' ' O ' ' A' ' 58' ' ' VAL . 2.3 p 72.58 -18.98 0.32 Allowed 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.832 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.726 ' O ' ' O ' ' A' ' 57' ' ' SER . 19.2 m 43.93 151.73 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.694 0 O-C-N 124.248 0.967 . . . . 1.0 111.278 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.72 139.71 31.05 Favored 'Trans proline' 0 C--N 1.291 -2.473 0 C-N-CA 121.693 1.595 . . . . 1.0 112.184 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.5 115.53 0.65 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.861 -0.895 . . . . 1.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.7 tt -140.53 133.24 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 1.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -87.39 118.85 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.542 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -152.09 124.65 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.518 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.3 167.25 34.78 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.6 p -170.61 165.17 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 1.0 110.524 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 49.02 76.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.66 -97.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.6 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -167.45 158.12 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.562 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.82 103.74 3.09 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.23 -28.57 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 1.0 110.626 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -63.12 -36.41 83.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.47 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.1 t80 41.72 86.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.622 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -71.56 139.9 49.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.545 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -85.24 61.24 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.88 -41.1 97.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.784 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 76' ' ' LEU . 9.6 mp -64.57 -93.94 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.454 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -76.04 132.94 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.496 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -158.36 165.37 34.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.388 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -138.75 -54.33 0.6 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.607 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.3 t90 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.946 -1.026 . . . . 1.0 110.509 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 55.71 34.26 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.418 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 203' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 204' ' ' LEU . 70.6 m -72.89 -6.64 46.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.619 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' B' ' 205' ' ' ALA . 49.9 tp 58.85 147.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.733 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 205' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' B' ' 204' ' ' LEU . . . 59.97 132.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.463 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -80.23 143.62 25.17 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.21 124.17 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 1.0 110.322 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' B' ' 209' ' ' MET . 99.3 m-20 55.58 73.4 0.43 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.636 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 209' ' ' MET . . . . . 0.409 ' O ' ' O ' ' B' ' 208' ' ' ASP . 43.7 mmm -48.73 177.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.304 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 210' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -100.97 -14.58 30.9 Favored Glycine 0 N--CA 1.463 0.449 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' B' ' 210' ' ' GLY . 71.7 ttt180 56.26 126.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.152 0.501 . . . . 1.0 110.472 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.402 ' C ' HD12 ' B' ' 213' ' ' LEU . 18.4 mt -141.01 142.06 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.46 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.546 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.3 mp -96.8 136.35 37.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.306 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 54.6 tp -133.0 138.15 46.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.609 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 215' ' ' ASP . 42.5 p-10 -123.45 122.36 38.04 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.655 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.46 153.52 43.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.8 m -65.75 158.51 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -61.99 -39.56 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.584 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 219' ' ' GLU . . . . . 0.601 ' O ' ' NE2' ' B' ' 223' ' ' GLN . 59.1 mp0 -58.39 -36.7 73.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.619 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.85 -41.91 91.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 1.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 66.8 mt -54.1 -36.27 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.186 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.54 -46.76 81.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.1 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 223' ' ' GLN . . . . . 0.601 ' NE2' ' O ' ' B' ' 219' ' ' GLU . 1.7 mp0 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 110.204 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.44 -39.59 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 225' ' ' ASP . . . . . 0.405 ' O ' HG23 ' B' ' 229' ' ' VAL . 56.7 t0 -56.41 -44.37 80.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.13 -41.88 93.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.443 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.49 -32.25 66.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.708 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -71.13 -40.89 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.561 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 229' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 78.5 t -66.25 -51.4 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.933 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -55.23 -43.72 74.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.706 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.624 ' HB3' HD22 ' B' ' 233' ' ' LEU . 10.4 mpt_? -78.81 -18.63 53.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.731 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 56.9 m-80 55.43 36.63 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.856 0.36 . . . . 1.0 110.541 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.833 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -132.11 159.86 70.33 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.027 0.442 . . . . 1.0 110.018 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.04 140.45 95.32 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.839 2.359 . . . . 1.0 112.608 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.3 ptp180 -59.71 -43.53 94.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -47.86 -38.96 17.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.218 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 237' ' ' ASP . . . . . 0.406 ' O ' ' OD2' ' B' ' 237' ' ' ASP . 63.8 t0 -66.63 -39.35 88.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.889 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.697 ' HG ' HD21 ' B' ' 233' ' ' LEU . 34.1 mt -64.48 -40.54 95.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.81 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.87 -44.68 96.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -57.52 -44.41 85.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.259 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.47 -39.96 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.656 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.77 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.379 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.13 -53.76 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.366 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -50.9 -49.32 59.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -59.2 -41.79 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.552 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 246' ' ' TYR . . . . . 0.516 ' OH ' ' NH1' ' A' ' 31' ' ' ARG . 66.7 t80 -63.02 -45.54 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.38 -42.29 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.912 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.96 -45.59 98.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.386 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -64.52 -42.78 95.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 1.0 110.524 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -67.54 -43.63 80.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.82 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 34.3 t -69.91 -74.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.685 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -80.32 118.22 21.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 44.3 p -90.88 -15.34 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.545 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -156.33 170.76 21.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.445 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 59.46 75.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 44.3 p -85.85 163.67 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.435 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 40.6 t -149.49 147.27 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.45 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.93 149.97 51.42 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.597 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.2 153.42 77.39 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.646 2.23 . . . . 1.0 112.111 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -148.16 -72.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.34 -44.2 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 1.0 110.43 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -92.85 126.86 38.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.354 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -145.17 154.82 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.477 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -89.41 173.3 40.47 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 63.3 m -136.98 152.31 50.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.358 . . . . 1.0 110.516 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 53.78 32.2 14.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.25 -39.2 92.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.659 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -137.04 94.66 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.323 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -88.09 -2.72 80.28 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 93.3 t -80.1 132.32 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 1.0 110.408 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -151.52 87.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.446 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -71.37 130.68 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.586 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -159.78 149.95 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.309 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -113.33 134.72 54.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.993 0.425 . . . . 1.0 110.371 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -81.67 92.77 6.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.439 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 50.1 tp -131.07 123.48 28.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.509 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 40.9 90.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.774 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -60.27 -62.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.37 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -173.77 -58.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.44 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 280' ' ' TRP . . . . . 0.423 ' OXT' ' CE3' ' B' ' 280' ' ' TRP . 74.2 t90 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.595 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 2' ' ' ASN . 46.5 p-10 -148.18 128.58 13.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.591 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -62.42 -43.72 98.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.3 tp 52.73 80.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.3 141.35 45.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.681 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.3 63.72 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.8 pt -91.56 6.87 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.861 0.362 . . . . 1.0 110.607 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.98 9.43 39.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.538 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.9 mtp -75.02 -173.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.456 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -91.95 -26.06 20.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.519 -0.632 . . . . 1.0 111.519 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 71.8 ttt180 56.29 125.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.333 0.587 . . . . 1.0 110.179 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.9 mt -143.3 147.69 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.499 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.9 mp -97.73 133.79 41.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.06 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD13 HD13 ' B' ' 239' ' ' LEU . 40.3 tp -113.96 122.48 47.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -103.16 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.677 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' B' ' 209' ' ' MET . 13.5 mt -98.57 -171.67 2.17 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.628 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.6 OUTLIER -105.22 4.42 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.641 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' B' ' 208' ' ' ASP . 2.0 m-20 76.79 -41.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.26 0.35 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.01 -25.32 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.125 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.2 t -76.62 -31.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.292 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.68 -41.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' NZ ' ' HE ' ' B' ' 255' ' ' ARG . 36.1 ttpt -65.29 -35.61 81.53 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -48.42 71.33 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.11 -32.95 74.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.569 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.23 -40.63 86.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -63.91 -38.43 91.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.454 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 27' ' ' LEU . 8.7 mp -76.39 -28.96 56.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.872 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.65 -39.31 88.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.562 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.7 -49.51 79.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.807 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -57.64 -44.39 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.28 -22.84 54.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 56.41 42.01 28.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.64 153.14 72.08 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -56.44 142.51 89.07 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.716 2.277 . . . . 1.0 112.277 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' NH2' HD13 ' B' ' 212' ' ' ILE . 54.1 ttp180 -58.58 -48.04 82.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.711 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.75 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.541 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -65.12 -38.01 89.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.876 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.75 -39.95 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.829 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -47.07 86.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.466 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.87 -43.76 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.22 -41.53 85.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.378 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -67.32 -52.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -53.22 -48.73 67.91 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -63.24 -39.02 93.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.822 0.344 . . . . 1.0 110.488 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -58.9 -40.42 84.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.43 -42.81 96.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.9 mm -63.21 -47.58 91.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.604 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -64.79 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.488 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.72 ' NE2' HH21 ' B' ' 231' ' ' ARG . 14.4 tp60 -58.7 -41.98 87.54 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-O 120.564 0.221 . . . . 1.0 110.489 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 t -62.82 -43.84 97.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.501 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -67.77 -39.5 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.592 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.2 m 49.76 85.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.477 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.15 -5.67 49.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.02 72.55 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.68 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -118.96 121.23 39.46 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.425 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 m -161.88 31.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.665 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' H ' HG22 ' A' ' 58' ' ' VAL . 2.5 m -77.41 150.78 80.2 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.06 152.67 79.7 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.611 2.207 . . . . 1.0 112.065 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.41 29.11 2.53 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.2 tt -119.78 135.23 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.851 0.358 . . . . 1.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -110.44 150.9 28.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.417 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -57.78 133.57 55.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.403 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.522 ' O ' ' SG ' ' A' ' 65' ' ' CYS . . . -58.68 -43.25 96.42 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 64' ' ' GLY . 7.1 p 45.29 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.13 0.49 . . . . 1.0 110.623 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -147.33 159.64 43.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.54 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 56.0 mp0 -138.93 136.99 36.05 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.008 0.433 . . . . 1.0 110.41 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -87.52 179.22 6.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.656 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.59 -157.87 8.95 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.35 133.72 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 1.0 110.529 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -142.31 -65.52 0.41 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -86.56 130.48 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.424 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -94.79 146.28 24.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.4 mtp85 -56.02 -72.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.656 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -170.69 102.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.59 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.39 -36.27 83.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.512 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -59.17 132.43 54.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.258 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -86.47 140.72 29.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.727 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -80.74 94.14 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.436 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 86.7 t90 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.533 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 21.0 tpp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' B' ' 202' ' ' ASN . 37.4 p-10 -80.5 118.83 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.625 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 38.8 t -77.64 -4.0 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.482 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 60.8 tp -56.72 100.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.46 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -95.45 -72.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.605 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -93.59 -125.59 4.1 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.04 111.86 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 O-C-N 122.465 -0.432 . . . . 1.0 109.947 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.525 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 99.0 m-20 -131.02 34.28 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.698 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 209' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 34.8 mmm -106.45 172.11 6.99 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.905 0.383 . . . . 1.0 110.249 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 210' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' A' ' 18' ' ' ASN . . . -106.04 -24.45 6.9 Favored Glycine 0 N--CA 1.465 0.572 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 73.4 ttt180 57.26 122.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.994 0.426 . . . . 1.0 110.48 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.434 HD12 HD12 ' A' ' 16' ' ' LEU . 30.6 mt -142.44 148.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.528 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.524 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.0 mp -92.28 144.64 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.278 0.561 . . . . 1.0 110.394 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.611 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -142.43 144.69 33.18 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.65 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.611 ' H ' HD23 ' B' ' 214' ' ' LEU . 3.4 m-20 -101.86 106.85 17.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.623 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.562 HD22 ' O ' ' B' ' 215' ' ' ASP . 3.9 mm? -119.87 137.35 54.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.027 178.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 12.4 m -66.28 156.2 35.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.424 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -69.42 -24.45 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.657 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.33 -35.81 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.594 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.09 -42.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.353 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.2 -38.65 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -63.89 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -67.89 -48.46 65.98 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.951 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.26 -39.61 91.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.485 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -51.01 -41.14 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -61.79 -40.94 96.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 1.0 110.497 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 227' ' ' LEU . . . . . 0.48 ' N ' HD12 ' B' ' 227' ' ' LEU . 9.8 mp -69.42 -28.31 66.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.522 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 7.4 tm-20 -68.58 -42.53 78.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.197 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 229' ' ' VAL . . . . . 0.447 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 83.0 t -74.87 -42.5 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.68 -47.08 85.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.112 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.72 HH21 ' NE2' ' A' ' 50' ' ' GLN . 95.4 mtt-85 -91.05 -10.38 42.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.924 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 94.1 m-20 51.56 48.92 21.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.686 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.463 ' O ' ' OE2' ' B' ' 228' ' ' GLU . 17.7 mt -139.0 150.65 65.93 Favored Pre-proline 0 C--O 1.217 -0.611 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.575 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.85 150.93 51.62 Favored 'Trans proline' 0 C--N 1.301 -1.931 0 C-N-CA 122.982 2.455 . . . . 1.0 112.851 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.07 -48.76 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.256 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.3 -40.85 8.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.208 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.61 -39.03 91.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.615 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 238' ' ' LEU . 87.3 mt -64.49 -42.73 95.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.76 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 239' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 14' ' ' LEU . 96.5 mt -63.63 -47.94 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.505 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -58.35 -44.87 88.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.82 -41.03 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.413 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.32 80.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.164 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.23 -52.06 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -51.63 -48.2 63.41 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -59.44 -40.6 87.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.48 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.07 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.83 -41.68 96.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.619 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.95 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 249' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' B' ' 251' ' ' SER . 66.7 t30 -61.64 -33.21 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.994 0.426 . . . . 1.0 109.946 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 250' ' ' GLN . . . . . 0.433 ' O ' ' CB ' ' B' ' 251' ' ' SER . 93.1 mm-40 -74.52 34.23 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.495 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 251' ' ' SER . . . . . 0.508 ' O ' ' O ' ' B' ' 252' ' ' GLN . 0.8 OUTLIER 76.58 9.01 3.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.828 179.709 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 252' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' B' ' 251' ' ' SER . 1.4 pt20 45.87 -179.6 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.241 0 O-C-N 124.243 0.964 . . . . 1.0 110.881 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 253' ' ' THR . . . . . 0.404 ' N ' ' HG3' ' B' ' 252' ' ' GLN . 1.5 m 71.98 160.02 0.22 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.586 . . . . 1.0 109.663 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 254' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 256' ' ' THR . . . -169.3 -160.83 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.527 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.487 ' HE ' ' NZ ' ' A' ' 22' ' ' LYS . 84.1 mtt85 53.14 -86.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.703 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 256' ' ' THR . . . . . 0.506 ' C ' ' H ' ' B' ' 258' ' ' VAL . 43.7 p -86.9 -25.25 24.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.564 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.04 -1.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.617 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 258' ' ' VAL . . . . . 0.734 HG13 ' O ' ' B' ' 258' ' ' VAL . 14.2 p -173.37 75.02 0.39 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.432 0.634 . . . . 1.0 110.312 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -59.8 144.38 99.46 Favored 'Trans proline' 0 C--N 1.299 -2.073 0 C-N-CA 122.769 2.313 . . . . 1.0 111.975 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -98.14 119.39 6.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 28.5 pt -82.61 -10.86 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 1.0 110.544 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -59.75 -41.7 91.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.518 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -62.05 144.47 55.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 165.15 72.25 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 45.2 t -82.03 118.52 23.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.954 0.406 . . . . 1.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -137.87 26.76 2.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.601 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -74.3 2.19 9.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.585 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -62.16 -39.37 92.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.524 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 73.02 69.02 1.46 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 270' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 271' ' ' GLU . 32.0 m -63.49 -40.91 90.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 1.0 110.552 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 271' ' ' GLU . . . . . 0.48 ' N ' HG23 ' B' ' 270' ' ' VAL . 79.4 tt0 -107.28 121.09 43.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.893 0.377 . . . . 1.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -71.88 135.6 46.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 273' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' B' ' 274' ' ' ARG . 57.6 tt0 -79.77 123.52 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.573 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 274' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 273' ' ' GLN . 61.2 ttt85 55.47 111.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.511 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -62.48 -171.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.538 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.675 ' H ' HD23 ' B' ' 276' ' ' LEU . 0.8 OUTLIER -156.25 12.39 0.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.628 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 277' ' ' ARG . . . . . 0.411 ' CZ ' ' OE2' ' B' ' 279' ' ' GLU . 79.9 ttt-85 -69.66 128.96 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.079 -178.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -172.18 107.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.453 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 279' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' B' ' 279' ' ' GLU . 47.8 mp0 -65.03 -42.61 94.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.473 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mmm . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 109.197 -0.668 . . . . 1.0 109.197 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -74.36 145.13 44.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.433 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.487 ' O ' ' O ' ' A' ' 4' ' ' LEU . 3.1 p 47.17 29.48 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.608 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.61 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? 57.73 135.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.774 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.03 176.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.3 101.94 0.15 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 pt -90.02 16.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.909 0.385 . . . . 1.0 110.541 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -87.53 8.88 23.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.638 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.6 mtm -74.7 -155.17 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.44 29.56 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -101.81 144.77 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' B' ' 214' ' ' LEU . 52.5 mt -138.22 137.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 1.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.8 mm? -93.42 124.01 37.12 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.074 0.464 . . . . 1.0 110.5 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 13' ' ' LEU . 2.2 mm? -116.89 131.21 57.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.503 ' C ' HD22 ' A' ' 16' ' ' LEU . 96.6 m-20 -102.13 110.59 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.4 mm? -105.44 -165.97 1.17 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.6 -154.39 0.54 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.031 0.443 . . . . 1.0 110.358 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' B' ' 208' ' ' ASP . 76.5 m-20 -111.21 -38.58 4.98 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.194 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.546 ' OE1' ' NE2' ' A' ' 23' ' ' GLN . 0.7 OUTLIER -70.73 -28.36 64.66 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.072 179.606 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.59 -37.97 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 120.944 0.402 . . . . 1.0 110.244 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.51 -42.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.399 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.76 -38.6 91.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.546 ' NE2' ' OE1' ' A' ' 19' ' ' GLU . 81.9 mt-30 -66.19 -45.58 80.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.305 -0.407 . . . . 1.0 109.925 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.28 -45.3 92.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.899 0.381 . . . . 1.0 110.799 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.28 -47.5 85.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.52 -45.35 92.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.04 -30.8 70.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.66 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' ASN . 21.3 mt-10 -66.9 -42.29 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.668 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.47 -42.43 96.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.613 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.98 -46.21 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.629 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -80.82 -12.71 59.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.596 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 14.1 m120 56.04 37.95 29.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.1 mt -134.05 150.54 74.61 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.812 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 154.7 72.69 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.719 2.279 . . . . 1.0 112.134 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 9.7 ptp85 -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.495 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.5 -39.3 33.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.107 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -69.75 -39.99 76.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.34 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.9 -41.99 86.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.49 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.71 -44.56 89.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.761 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -57.78 -42.98 85.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.258 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.69 -38.01 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.452 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.16 -44.54 97.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.09 -53.96 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.289 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.35 -44.58 68.62 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.117 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -64.78 -36.48 84.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.868 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.532 ' CE1' ' OE1' ' A' ' 50' ' ' GLN . 77.2 t80 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.479 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.22 -46.94 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.463 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 48' ' ' ILE . 1.4 mp -57.23 -43.6 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -64.08 -36.46 84.08 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.532 ' OE1' ' CE1' ' A' ' 46' ' ' TYR . 4.7 mp0 -85.1 27.0 0.81 Allowed 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 76.7 p -98.12 -4.67 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.84 0.353 . . . . 1.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -148.91 100.49 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.022 0.439 . . . . 1.0 110.352 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -104.14 7.5 36.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.488 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.89 -38.58 76.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.502 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -127.64 143.38 51.16 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.079 0.466 . . . . 1.0 110.613 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -145.35 159.51 42.94 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.399 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -116.85 132.29 56.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 58' ' ' VAL . 15.3 m -74.88 147.44 83.97 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.673 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.56 134.88 31.83 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.571 2.181 . . . . 1.0 112.1 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.69 -41.1 75.81 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.742 HD13 ' N ' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -133.24 127.54 54.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.878 -0.416 . . . . 1.0 109.878 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.742 ' N ' HD13 ' A' ' 61' ' ' ILE . 71.0 t90 -137.16 93.68 2.86 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.786 0.327 . . . . 1.0 111.014 177.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -65.66 -40.09 92.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.734 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.41 -49.47 2.38 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 32.1 p -173.55 123.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 1.0 110.502 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -83.94 145.87 28.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.662 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.66 129.63 40.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -91.29 108.66 20.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.452 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.6 151.86 46.94 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.838 -0.905 . . . . 1.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.17 139.72 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.896 0.379 . . . . 1.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -63.4 97.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.653 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.508 ' C ' ' H ' ' A' ' 74' ' ' ARG . 88.7 m-85 -63.17 -4.24 2.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 69.56 -39.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.54 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' A' ' 72' ' ' TYR . 90.1 mtm180 50.29 -170.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.49 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -136.32 152.15 50.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.065 0.46 . . . . 1.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.31 69.36 1.37 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -64.4 -41.16 96.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.551 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 53.4 177.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 1.0 110.433 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -137.72 145.82 42.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.021 0.439 . . . . 1.0 110.409 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.1 m95 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.622 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.36 -39.96 94.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 84.4 p -74.15 151.41 40.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.538 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' B' ' 205' ' ' ALA . 44.5 tp -118.48 118.2 31.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.578 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 205' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' B' ' 204' ' ' LEU . . . 67.37 -59.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.371 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 206' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' B' ' 204' ' ' LEU . . . 97.43 156.37 30.34 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.761 -0.936 . . . . 1.0 110.761 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 5.6 pt -111.6 120.65 62.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.101 0.477 . . . . 1.0 110.586 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.513 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 95.9 m-20 -77.51 15.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.595 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 71.1 mmm -82.94 168.2 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.433 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -116.93 120.86 4.96 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 110.864 -0.895 . . . . 1.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -82.24 136.46 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.06 0.457 . . . . 1.0 110.546 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.521 HG22 ' N ' ' B' ' 213' ' ' LEU . 96.8 mt -137.39 158.66 35.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.379 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.54 HD23 ' N ' ' B' ' 214' ' ' LEU . 1.2 tt -113.54 112.42 23.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.072 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.54 ' N ' HD23 ' B' ' 213' ' ' LEU . 33.6 tp -113.23 131.21 55.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.639 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.436 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 44.7 p-10 -121.15 122.94 41.09 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.453 . . . . 1.0 110.502 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.3 mt -129.58 152.28 49.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.651 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.1 m -55.67 152.25 9.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -61.57 -38.46 87.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.263 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -56.86 -33.9 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.417 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.35 -43.07 81.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.43 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.76 -37.04 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.73 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.9 -38.0 87.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 1.0 109.958 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.01 -48.01 72.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.237 -0.438 . . . . 1.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.94 -41.23 86.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.429 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.5 -41.1 80.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.449 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.43 -46.56 89.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.42 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 227' ' ' LEU . . . . . 0.403 HD12 ' N ' ' B' ' 227' ' ' LEU . 8.9 mp -66.42 -31.84 72.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.522 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 232' ' ' ASN . 32.3 mt-10 -63.85 -43.63 95.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.23 -43.17 95.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.564 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -65.49 -38.23 89.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.486 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.42 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 6.8 mmp_? -93.78 -3.03 52.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.631 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 228' ' ' GLU . 3.9 p-10 43.6 37.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.503 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.2 mt -133.64 151.65 77.55 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.693 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.76 149.91 89.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.58 2.186 . . . . 1.0 112.205 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.7 ptp180 -60.1 -42.76 95.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.492 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.44 -41.83 30.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.395 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -70.14 -40.24 74.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.548 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.26 -42.03 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.65 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.28 -42.11 99.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.574 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -55.86 -44.97 78.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.283 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -69.19 -37.39 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.06 88.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.385 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.58 -53.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -55.55 -49.45 72.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -54.59 -41.89 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.637 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -63.53 -44.18 95.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 1.0 110.487 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.61 -35.85 80.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.69 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.86 -44.01 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 249' ' ' ASN . . . . . 0.554 ' C ' ' H ' ' B' ' 251' ' ' SER . 67.3 t30 -68.91 -35.91 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.149 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 250' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' B' ' 251' ' ' SER . 14.3 mm100 -70.51 28.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.335 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 251' ' ' SER . . . . . 0.554 ' H ' ' C ' ' B' ' 249' ' ' ASN . 2.6 p 78.59 132.9 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.138 0.494 . . . . 1.0 110.378 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -139.08 50.72 1.81 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.605 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 64.9 p -83.76 169.05 15.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -138.34 97.13 3.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.435 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -69.27 -25.58 64.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.703 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 35.8 p -67.35 -30.23 69.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.555 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 47.1 t 55.31 81.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.522 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 4.1 t -145.83 57.97 4.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.977 0.418 . . . . 1.0 110.489 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -70.1 154.31 66.51 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.704 2.269 . . . . 1.0 112.039 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -62.88 -35.88 92.62 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 81.5 mt -106.06 114.65 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.003 0.43 . . . . 1.0 110.373 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -90.77 -65.14 1.04 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.594 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -75.04 75.01 2.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.528 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -173.35 168.98 42.07 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 40.7 t -173.48 -20.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 1.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -160.39 24.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.64 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.4 138.85 58.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.364 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -141.54 53.45 1.52 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.626 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 81.78 13.67 79.27 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.43 131.41 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.874 0.369 . . . . 1.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.87 -92.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.711 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -168.03 -13.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.53 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 273' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' B' ' 275' ' ' LYS . 95.5 mt-30 54.42 85.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.711 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 41.14 -97.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.678 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 275' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' B' ' 273' ' ' GLN . 26.1 pttm -104.24 175.01 5.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.717 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.599 ' N ' HD22 ' B' ' 276' ' ' LEU . 3.7 mm? -74.05 144.45 45.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.746 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -49.63 -72.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.594 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 46.11 52.32 10.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.569 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.86 -37.39 86.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.673 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.545 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.2 -43.5 97.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.676 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -163.17 136.56 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.545 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.0 mt 43.73 65.22 1.05 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.711 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.88 15.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.52 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.89 -135.42 3.72 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.2 mm -99.85 108.83 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 1.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -161.66 70.47 0.34 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.748 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.1 mtm -81.54 162.12 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.408 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -179.94 24.66 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.653 -0.979 . . . . 1.0 110.653 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -130.38 128.58 41.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.834 0.349 . . . . 1.0 110.538 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 mm -127.31 147.37 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.711 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.8 mp -98.76 136.03 39.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.326 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -130.07 136.36 49.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.435 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -120.57 123.93 44.06 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.3 mt -129.34 151.46 49.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -66.59 156.22 35.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.472 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -61.22 -31.57 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.462 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.88 -35.03 77.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.95 -41.76 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.385 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.6 mt -53.96 -41.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.018 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.18 -37.84 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 1.0 110.277 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.01 -48.95 69.47 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.31 -38.69 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 29' ' ' VAL . 47.1 t0 -55.0 -45.94 75.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.552 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -60.51 -44.04 96.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.1 mp -74.48 -28.57 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.93 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASN . 8.3 tm-20 -76.2 -42.13 47.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.82 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 25' ' ' ASP . 57.8 t -66.38 -51.54 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.67 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -52.44 -45.91 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.51 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.594 ' HE ' HD21 ' A' ' 33' ' ' LEU . 72.2 mtp85 -81.73 -32.86 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.756 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' GLU . 55.2 t30 63.19 65.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.898 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.594 HD21 ' HE ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -150.27 159.24 35.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.355 0.598 . . . . 1.0 110.586 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.46 141.69 95.08 Favored 'Trans proline' 0 C--N 1.3 -1.978 0 C-N-CA 122.703 2.268 . . . . 1.0 112.175 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.43 HH11 ' CD1' ' B' ' 212' ' ' ILE . 44.6 ttm180 -61.31 -43.88 98.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.475 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.36 -41.06 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.287 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.46 -39.7 95.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.68 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.97 -43.39 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.66 -47.78 82.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.789 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -57.89 -43.9 86.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.484 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.36 -39.63 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.9 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.307 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.92 -51.62 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.148 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -52.83 -48.05 67.25 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -56.54 -42.28 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.744 0.307 . . . . 1.0 110.479 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -63.69 -43.2 97.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.036 0.446 . . . . 1.0 110.608 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.28 -40.67 97.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.4 mt -60.32 -44.76 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.333 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 51' ' ' SER . 63.0 t30 -64.77 -39.4 93.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.188 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -78.57 27.51 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.797 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.65 ' C ' ' H ' ' A' ' 53' ' ' THR . 28.1 t -160.67 165.08 31.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.318 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.56 ' C ' ' H ' ' A' ' 54' ' ' ALA . 96.2 mt-30 63.52 -26.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.516 0.51 . . . . 1.0 110.74 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.65 ' H ' ' C ' ' A' ' 51' ' ' SER . 4.1 m 66.45 -13.68 0.17 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.594 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.56 ' H ' ' C ' ' A' ' 52' ' ' GLN . . . -73.63 141.79 46.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.511 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -138.79 136.45 35.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.41 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p -79.46 164.09 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -77.51 162.75 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.758 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 58' ' ' VAL . 11.5 p -72.02 136.68 82.18 Favored Pre-proline 0 N--CA 1.442 -0.838 0 C-N-CA 120.238 -0.585 . . . . 1.0 110.124 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.3 144.46 30.51 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.615 2.21 . . . . 1.0 112.144 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.32 156.58 34.1 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.59 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.4 pp -134.99 170.81 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.124 0.487 . . . . 1.0 110.623 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -82.98 162.59 21.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.415 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -58.81 136.36 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.56 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.35 106.93 0.29 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.3 m -98.05 145.25 26.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 1.0 110.484 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.505 ' OE1' ' NH2' ' B' ' 255' ' ' ARG . 80.3 mm-40 -63.22 123.06 17.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.383 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -92.09 113.53 25.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.542 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.34 -43.45 98.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.542 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 70' ' ' VAL . . . 80.1 6.01 89.36 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 69' ' ' GLY . 25.7 t 47.15 97.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 1.0 110.431 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -131.23 122.15 26.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.945 0.402 . . . . 1.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 74' ' ' ARG . 97.4 m-85 -91.11 60.86 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.49 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 52.94 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.623 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 72' ' ' TYR . 71.2 ttt180 47.59 63.56 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.54 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -62.91 -41.61 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.489 ' C ' HD23 ' A' ' 76' ' ' LEU . 2.0 tt -170.98 -65.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.606 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.0 91.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.828 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.77 145.61 25.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.551 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' A' ' 79' ' ' GLU . 1.5 pm0 -145.88 -27.57 0.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.608 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.394 -179.856 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 14.2 m120 56.88 35.2 26.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.582 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 33.5 t -165.42 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.623 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 55.7 mt -63.73 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.589 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -64.3 146.84 53.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.507 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -151.26 158.47 27.72 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.68 -0.968 . . . . 1.0 110.68 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 92.1 mt -109.0 117.01 53.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.943 0.401 . . . . 1.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -153.46 75.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.6 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 79.5 mtp -89.25 177.17 6.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.311 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -113.09 179.83 19.2 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -139.47 128.62 23.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 1.0 110.404 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.43 ' CD1' HH11 ' A' ' 35' ' ' ARG . 82.6 mt -135.52 149.32 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.334 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.482 HD12 ' N ' ' B' ' 213' ' ' LEU . 11.2 mp -102.23 128.24 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.986 0.422 . . . . 1.0 110.238 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.67 132.8 54.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.644 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -113.05 128.37 56.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.63 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 64.1 mt -128.54 140.01 52.01 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 9.1 m -66.02 155.49 36.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.367 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -57.94 -38.03 75.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.362 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.76 -41.36 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.537 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.64 -39.62 47.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.77 -37.75 88.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 1.0 110.248 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.38 -48.52 75.14 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 121.032 0.444 . . . . 1.0 109.913 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.5 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.475 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.37 -40.22 85.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -65.52 -38.96 91.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.655 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.99 -29.63 63.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.847 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' B' ' 233' ' ' LEU . 6.0 tm-20 -69.46 -42.08 75.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.959 0.409 . . . . 1.0 110.912 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.61 -48.26 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.838 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.01 -45.92 89.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.698 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -78.14 -26.36 47.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.936 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 66.7 t30 58.92 42.9 18.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 16.0 mt -138.52 153.96 73.0 Favored Pre-proline 0 C--O 1.222 -0.361 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.001 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.82 144.52 99.44 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.764 2.309 . . . . 1.0 112.288 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 30.5 ptt180 -58.62 -45.29 89.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -45.8 -43.19 13.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.116 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.99 -39.74 93.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.406 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.04 -40.64 95.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.727 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.79 -48.03 82.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.41 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -59.18 -43.5 92.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -65.86 -38.35 88.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.12 87.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.59 -53.79 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -49.81 -48.69 50.64 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.02 -41.36 99.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 1.0 110.558 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.29 -47.95 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.491 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.14 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 248' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' B' ' 252' ' ' GLN . 95.6 mt -65.39 -48.61 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.591 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -65.77 -42.74 90.47 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.514 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.41 -42.58 99.55 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 251' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 252' ' ' GLN . 82.7 p -88.32 -9.08 53.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.555 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 252' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' B' ' 248' ' ' ILE . 82.8 mm-40 55.3 159.97 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 2.9 t -144.05 156.51 44.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.508 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 61.02 -167.99 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.509 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.505 ' NH2' ' OE1' ' A' ' 66' ' ' GLU . 89.3 mtm180 -140.44 168.42 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.526 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 64.5 p -62.01 137.72 58.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.32 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 257' ' ' SER . . . . . 0.716 ' O ' ' O ' ' B' ' 258' ' ' VAL . 39.9 t -64.29 129.35 39.6 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 118.809 -0.615 . . . . 1.0 109.908 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 258' ' ' VAL . . . . . 0.716 ' O ' ' O ' ' B' ' 257' ' ' SER . 28.7 m 43.56 149.97 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.769 0 O-C-N 124.444 1.09 . . . . 1.0 111.508 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -49.09 -39.21 41.34 Favored 'Trans proline' 0 C--N 1.288 -2.61 0 C-N-CA 121.675 1.583 . . . . 1.0 112.207 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 91.94 -115.03 4.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 31.7 pt -83.08 141.56 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 1.0 110.707 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -85.5 126.77 34.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -90.73 -39.85 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.359 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 136.58 -137.97 9.47 Favored Glycine 0 N--CA 1.464 0.542 0 N-CA-C 110.643 -0.983 . . . . 1.0 110.643 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 7.6 t -113.07 176.69 4.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.869 0.366 . . . . 1.0 110.503 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.63 131.43 50.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.495 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -102.2 161.08 13.97 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -82.04 113.77 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.576 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -150.45 31.7 1.03 Allowed Glycine 0 CA--C 1.519 0.292 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 270' ' ' VAL . . . . . 0.411 ' O ' HG23 ' B' ' 270' ' ' VAL . 35.5 m -114.56 129.43 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.002 0.43 . . . . 1.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 271' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' B' ' 271' ' ' GLU . 56.0 mp0 -85.58 -66.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.452 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 272' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' B' ' 271' ' ' GLU . 80.8 t80 41.84 93.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.621 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 273' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' B' ' 274' ' ' ARG . 85.0 mt-30 -127.84 -40.46 1.71 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.545 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 274' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 273' ' ' GLN . 28.9 mmt180 59.41 126.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.007 0.432 . . . . 1.0 110.482 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 275' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' B' ' 275' ' ' LYS . 1.7 mppt? -71.62 134.58 46.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.586 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' B' ' 275' ' ' LYS . 47.1 mt 58.37 151.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.416 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 90.5 mtm-85 -65.43 -37.61 87.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.495 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 56.74 -95.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.5 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 279' ' ' GLU . . . . . 0.523 ' O ' ' CG ' ' B' ' 280' ' ' TRP . 96.1 mt-10 -139.08 6.26 2.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.492 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 280' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' B' ' 279' ' ' GLU . 97.4 m95 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -69.04 122.49 18.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.5 p -73.82 154.08 39.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 4' ' ' LEU . 38.5 tp -110.94 127.43 55.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.525 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.3 48.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.02 110.99 3.15 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.8 mt -102.24 109.6 26.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.925 0.393 . . . . 1.0 110.458 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -169.45 78.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.57 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mmm -56.61 176.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.537 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.67 154.97 16.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -123.89 120.11 31.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.996 0.426 . . . . 1.0 110.482 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.4 ' C ' HD12 ' A' ' 13' ' ' LEU . 93.3 mt -137.2 152.76 28.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.5 mp -99.33 139.59 34.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.739 HD23 ' H ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -134.47 140.85 46.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.539 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.739 ' H ' HD23 ' A' ' 14' ' ' LEU . 46.2 p-10 -119.66 127.28 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.722 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -131.31 148.51 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -59.67 152.32 22.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -62.55 -37.66 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.598 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -56.18 -35.57 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.545 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -68.31 -42.68 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.93 -39.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.24 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.04 -39.38 93.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.14 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -66.32 -48.97 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.193 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.28 -40.19 96.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.295 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -59.66 -42.94 93.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.508 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.399 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.12 -28.69 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -66.01 -41.48 90.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.543 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.2 -43.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.82 -44.32 97.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.851 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -77.89 -11.77 59.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 53.31 34.29 17.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.2 mt -135.04 153.92 78.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.17 145.51 97.51 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 122.733 2.288 . . . . 1.0 112.0 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 36' ' ' ALA . 40.4 ptt180 -61.13 -41.57 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.595 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 35' ' ' ARG . . . -48.95 -42.25 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.289 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -66.2 -40.31 90.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.473 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.726 HD13 HD21 ' B' ' 214' ' ' LEU . 88.7 mt -61.34 -44.4 97.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.554 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.77 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.359 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.74 -50.63 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.332 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -54.54 -48.79 71.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.954 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -57.17 -42.27 80.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.423 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.496 ' CG ' ' OE1' ' A' ' 50' ' ' GLN . 41.5 t80 -63.51 -42.01 98.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.436 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -42.64 97.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.16 -45.25 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 1.0 109.863 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -66.78 -41.96 86.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.323 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.496 ' OE1' ' CG ' ' A' ' 46' ' ' TYR . 2.6 mp0 -65.6 -44.88 85.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.38 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.2 t -69.25 -17.17 63.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.591 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.44 -44.56 96.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.582 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.0 p 44.32 41.32 4.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.547 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 143.07 56.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.511 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 56' ' ' THR . 84.6 mtt85 -69.26 138.07 53.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.5 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 55' ' ' ARG . 68.7 p 48.78 178.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.56 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -152.7 156.2 38.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.534 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 58' ' ' VAL . 5.7 m -93.18 149.4 37.38 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.52 153.04 74.54 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.819 2.346 . . . . 1.0 112.094 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.45 -167.71 0.71 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 62' ' ' TRP . 97.1 mt -63.29 -43.64 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 121.032 -0.267 . . . . 1.0 110.423 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.434 ' O ' ' O ' ' A' ' 61' ' ' ILE . 66.2 t-105 47.2 98.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.527 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -152.68 -63.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.491 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.93 109.74 3.0 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.1 -37.32 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 1.0 110.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 55.04 87.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.527 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -134.53 55.57 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.65 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -88.5 1.23 55.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.511 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.1 99.85 0.1 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.92 132.71 70.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.8 0.334 . . . . 1.0 110.474 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' OE2' ' N ' ' A' ' 71' ' ' GLU . 56.8 mp0 -72.29 120.6 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.678 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -62.04 -44.95 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.482 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -156.49 128.76 7.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.545 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -75.75 146.23 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -108.69 176.04 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 1.0 110.52 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.26 146.75 49.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -75.37 133.76 41.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.519 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -82.01 -26.7 33.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 80' ' ' TRP . 99.3 mt-10 53.99 14.63 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.516 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.536 ' CG ' ' O ' ' A' ' 79' ' ' GLU . 4.8 m-90 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.52 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.48 -41.97 98.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.549 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 12.3 t -175.04 97.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.613 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.583 HD22 ' N ' ' B' ' 204' ' ' LEU . 3.8 mm? -88.89 -5.79 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.518 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -160.15 156.23 26.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 83.49 33.84 21.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.019 -0.833 . . . . 1.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 207' ' ' ILE . . . . . 0.507 HD12 ' N ' ' B' ' 208' ' ' ASP . 1.1 pp -97.62 7.79 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.716 0.293 . . . . 1.0 110.619 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.507 ' N ' HD12 ' B' ' 207' ' ' ILE . 49.2 t0 -80.63 10.81 4.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.542 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 77.4 mtp -141.22 124.43 16.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.92 35.02 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -77.03 130.23 37.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 1.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.44 HG22 ' N ' ' B' ' 213' ' ' LEU . 87.5 mt -134.53 154.94 38.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.493 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.44 ' N ' HG22 ' B' ' 212' ' ' ILE . 0.1 OUTLIER -111.32 128.66 56.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.994 0.426 . . . . 1.0 110.363 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -115.44 131.52 56.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -101.95 111.13 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.4 mt -116.81 130.61 56.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.668 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 1.6 t -63.12 149.05 46.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.439 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -55.57 -38.24 69.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.47 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 66.7 t -68.24 -42.39 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 1.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -55.34 -39.58 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.03 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.18 -48.22 68.61 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.051 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 224' ' ' LEU . . . . . 0.55 ' C ' HH12 ' B' ' 235' ' ' ARG . 63.3 mt -65.49 -39.86 92.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.419 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -57.87 -47.08 83.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.576 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.69 -39.83 92.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.999 0.428 . . . . 1.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' B' ' 232' ' ' ASN . 38.5 tt0 -60.88 -42.69 98.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.709 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.19 -41.91 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.816 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -55.17 -47.91 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.942 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -92.74 -15.72 26.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.716 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' B' ' 228' ' ' GLU . 32.1 m-80 57.13 36.75 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 84.6 mt -109.6 156.0 40.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 1.0 110.536 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.16 144.51 99.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.531 2.154 . . . . 1.0 112.272 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.55 HH12 ' C ' ' B' ' 224' ' ' LEU . 4.7 tpm_? -61.28 -54.02 49.4 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.023 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -53.33 -38.2 63.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.2 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 237' ' ' ASP . . . . . 0.435 ' O ' ' OE1' ' B' ' 241' ' ' GLU . 62.3 t0 -66.54 -40.76 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 1.0 110.612 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.52 HD13 HH21 ' B' ' 235' ' ' ARG . 78.8 mt -66.94 -40.7 87.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.787 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.37 -44.16 97.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.568 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -57.38 -42.6 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.184 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 241' ' ' GLU . . . . . 0.556 ' N ' ' OE1' ' B' ' 241' ' ' GLU . 1.4 mp0 -63.36 -42.65 98.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.8 78.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.511 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.8 -53.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.534 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.38 -43.57 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.031 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -58.05 -41.07 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.424 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.47 -42.52 98.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.595 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.99 -41.72 98.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.753 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.48 -45.33 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.3 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 249' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' B' ' 251' ' ' SER . 15.9 t-20 -65.14 -34.58 78.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.071 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 250' ' ' GLN . . . . . 0.425 ' O ' ' CB ' ' B' ' 251' ' ' SER . 83.9 mm-40 -72.92 29.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.537 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 251' ' ' SER . . . . . 0.519 ' H ' ' C ' ' B' ' 249' ' ' ASN . 1.4 t 76.68 117.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -156.82 -77.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.569 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 15.2 t -165.94 -21.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 57.12 108.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.623 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -84.48 121.2 27.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.464 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 256' ' ' THR . . . . . 0.431 ' O ' ' O ' ' B' ' 257' ' ' SER . 41.7 p -67.27 -33.34 75.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.558 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 257' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 256' ' ' THR . 7.9 t 59.57 131.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.575 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.8 m -149.27 73.03 10.07 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.519 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.14 144.51 99.48 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.706 2.271 . . . . 1.0 112.08 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 260' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' B' ' 262' ' ' TRP . . . -72.4 -71.5 1.06 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 89.2 mt 44.38 -91.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 1.0 110.606 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 262' ' ' TRP . . . . . 0.496 ' N ' ' O ' ' B' ' 260' ' ' GLY . 71.9 t-105 -168.19 -6.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.546 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.81 -39.29 93.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.382 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -65.1 92.54 0.14 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 17.5 t -173.96 -23.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 1.0 110.571 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -67.12 140.52 57.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.497 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 53.27 82.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.448 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -89.17 111.87 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.5 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -60.86 -100.14 0.01 OUTLIER Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.939 -0.865 . . . . 1.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.9 159.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 1.0 110.519 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -170.97 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.534 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 272' ' ' TYR . . . . . 0.439 ' C ' ' H ' ' B' ' 274' ' ' ARG . 95.7 m-85 -79.6 151.49 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.641 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 54.63 9.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.614 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 274' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' B' ' 275' ' ' LYS . 62.3 ttp180 -79.86 -69.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.669 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 275' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' B' ' 274' ' ' ARG . 69.6 mmtt 59.27 135.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' B' ' 275' ' ' LYS . 51.4 mt 58.98 123.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.44 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 277' ' ' ARG . . . . . 0.436 ' N ' ' CD ' ' B' ' 277' ' ' ARG . 3.0 mpt_? -61.65 -42.24 98.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.474 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -69.13 142.0 54.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.85 -39.97 91.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 98.4 m95 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.5 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 55.74 61.57 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.599 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 4' ' ' LEU . 46.8 t -61.41 135.98 57.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.628 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 3' ' ' SER . 54.1 mt 51.38 171.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.572 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.86 96.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.688 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.43 164.0 33.75 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.673 -0.971 . . . . 1.0 110.673 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.4 mt -116.33 70.95 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.843 0.354 . . . . 1.0 110.293 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 46.12 34.22 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.469 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 81.7 mtp -67.08 122.89 18.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.229 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.53 138.58 30.59 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.512 HH21 HD23 ' B' ' 213' ' ' LEU . 28.8 ttt85 -84.0 141.09 31.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' HD22 ' A' ' 13' ' ' LEU . 75.9 mt -133.51 149.8 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 1.0 110.51 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.486 HD22 ' C ' ' A' ' 12' ' ' ILE . 4.2 mm? -104.21 111.85 24.63 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.344 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 212' ' ' ILE . 49.4 tp -108.77 126.59 53.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.213 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -115.85 124.26 50.21 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.973 0.416 . . . . 1.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -134.6 151.19 50.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.725 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -63.63 157.55 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.562 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -63.09 -37.53 87.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.525 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -57.39 -32.73 67.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.4 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.15 -44.19 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.67 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.9 mt -53.38 -38.17 31.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -64.57 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 1.0 110.005 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -67.09 -48.31 68.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.193 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.37 -40.89 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -51.86 -42.11 62.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.397 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -59.6 -43.17 93.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.401 . . . . 1.0 110.257 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.0 mp -70.26 -29.67 66.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.428 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.5 mt-10 -70.98 -39.93 72.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.91 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.24 -50.06 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.759 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.353 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -85.05 -15.92 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.804 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' GLU . 11.1 m120 56.89 37.87 29.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.297 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.3 mt -136.52 152.62 75.08 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.028 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.45 151.44 84.94 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.62 2.213 . . . . 1.0 112.055 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -58.82 -45.26 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.842 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.23 -37.92 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.052 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 66.1 t0 -68.73 -37.82 79.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 1.0 110.741 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.75 -39.83 91.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.65 -44.04 97.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.757 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -60.63 -43.21 97.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.19 -40.36 82.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.58 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.38 96.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.32 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.85 -53.51 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.2 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.31 -48.66 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.853 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.62 -41.19 98.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.704 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' GLN . 75.3 t80 -60.99 -44.59 97.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' CG ' ' A' ' 50' ' ' GLN . 90.3 mt -59.64 -46.74 88.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.479 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.23 -46.22 91.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.63 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.18 -18.16 60.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.639 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -43.47 -34.06 1.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.485 -179.474 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.4 t -64.82 -42.0 95.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.151 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -86.2 50.41 1.98 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.636 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.1 m -76.25 -73.28 0.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.649 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.72 78.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.66 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -145.52 132.71 20.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.899 0.38 . . . . 1.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' SER . 13.7 t -150.17 167.44 26.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.495 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 56' ' ' THR . 8.4 t 60.25 137.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.623 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 m -79.61 149.56 71.61 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.687 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.79 -22.25 43.4 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.668 2.245 . . . . 1.0 112.02 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.29 -167.72 35.66 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.639 -0.984 . . . . 1.0 110.639 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.595 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.3 pp -126.13 167.2 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.212 0.529 . . . . 1.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -74.5 137.65 42.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.485 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -147.01 154.3 41.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.488 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.41 173.27 45.23 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.0 t -135.98 132.41 36.31 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.906 0.384 . . . . 1.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -75.07 119.71 19.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.276 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -92.29 128.0 37.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -90.29 102.14 14.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.354 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 71' ' ' GLU . . . -94.06 -127.27 4.75 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.692 -0.963 . . . . 1.0 110.692 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' TYR . 9.0 t 57.5 -76.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 121.38 -0.128 . . . . 1.0 110.751 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 69' ' ' GLY . 12.3 pt-20 31.54 38.12 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.4 0.438 . . . . 1.0 110.958 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.503 ' CD2' ' N ' ' A' ' 73' ' ' GLN . 84.9 t80 -74.68 -99.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.29 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.503 ' N ' ' CD2' ' A' ' 72' ' ' TYR . 96.2 mt-30 45.32 93.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.57 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -142.52 91.58 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.354 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -117.66 110.2 17.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.456 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.1 tp -94.66 75.38 3.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.359 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -87.95 -25.35 23.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.756 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 58.32 -92.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.527 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 41.37 90.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.546 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.59 -40.79 96.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 20.6 m -72.15 125.65 27.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.439 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.525 ' N ' HD12 ' B' ' 204' ' ' LEU . 10.7 mp -63.88 -41.83 97.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.494 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -62.04 145.91 51.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.596 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -177.34 -55.06 0.07 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -108.6 110.54 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.838 -0.43 . . . . 1.0 109.838 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -140.35 66.44 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.46 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 57.2 mtp -102.24 176.39 5.21 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.854 0.359 . . . . 1.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 210' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -101.23 -19.36 16.77 Favored Glycine 0 N--CA 1.461 0.365 0 N-CA-C 111.57 -0.612 . . . . 1.0 111.57 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.5 ttm-85 57.38 124.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.008 0.432 . . . . 1.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.473 ' C ' HD12 ' B' ' 213' ' ' LEU . 90.5 mt -136.96 148.8 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.285 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.559 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.2 mp -101.33 131.68 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ILE . 59.1 tp -131.38 138.32 49.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 215' ' ' ASP . 37.9 p-10 -129.51 133.08 47.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 1.0 110.7 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.498 ' O ' ' O ' ' B' ' 217' ' ' SER . 91.4 mt -135.37 160.82 37.24 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.474 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 217' ' ' SER . . . . . 0.498 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -53.65 -159.08 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.364 179.572 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -103.95 -43.81 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.797 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -59.32 -27.57 66.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.352 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.38 -43.7 78.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.547 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.96 -34.74 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -68.17 -38.52 82.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.088 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.38 -46.82 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.912 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.5 mt -63.0 -39.35 94.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.689 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -54.84 -42.55 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.573 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.28 -40.11 89.23 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.646 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.71 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.79 -39.26 73.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.199 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 64.7 t -86.9 -36.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.905 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -43.87 -27.45 0.35 Allowed 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 83.7 mtt85 -117.98 -92.72 0.52 Allowed 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 120.361 -0.535 . . . . 1.0 110.867 178.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.558 ' H ' HD12 ' B' ' 233' ' ' LEU . 19.3 t30 165.92 60.71 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.82 0.7 . . . . 1.0 110.997 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.778 HD22 ' C ' ' B' ' 233' ' ' LEU . 0.0 OUTLIER -164.12 156.03 14.42 Favored Pre-proline 0 C--N 1.312 -1.03 0 CA-C-O 121.385 0.612 . . . . 1.0 110.174 -177.627 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 234' ' ' PRO . . . . . 0.527 ' O ' HD22 ' B' ' 233' ' ' LEU . 19.8 Cg_endo -57.94 142.51 96.59 Favored 'Trans proline' 0 C--N 1.293 -2.36 0 C-N-CA 122.37 2.047 . . . . 1.0 113.882 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 20.1 ptp180 -57.98 -40.73 81.39 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.25 0.548 . . . . 1.0 110.658 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -46.12 -43.1 14.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.143 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 237' ' ' ASP . . . . . 0.526 ' HB2' HD23 ' B' ' 233' ' ' LEU . 58.1 m-20 -63.59 -35.36 80.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.519 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.425 ' HG ' HD21 ' B' ' 233' ' ' LEU . 6.8 mt -67.14 -39.31 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.933 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 239' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 239' ' ' LEU . 92.6 mt -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.99 -42.04 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.345 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.7 -37.25 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.622 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.51 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.75 -53.73 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.448 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -51.07 -47.12 61.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 1.0 109.856 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -63.06 -40.59 98.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.554 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 246' ' ' TYR . . . . . 0.685 ' CZ ' ' NE2' ' B' ' 250' ' ' GLN . 82.3 t80 -61.84 -44.1 97.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.288 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.19 -44.61 97.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.324 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.07 -46.02 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.112 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -66.47 -22.56 66.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.588 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 250' ' ' GLN . . . . . 0.685 ' NE2' ' CZ ' ' B' ' 246' ' ' TYR . 8.2 tp-100 -56.85 -39.02 73.5 Favored 'General case' 0 N--CA 1.437 -1.116 0 O-C-N 123.129 0.268 . . . . 1.0 110.594 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 251' ' ' SER . . . . . 0.481 ' C ' ' H ' ' B' ' 253' ' ' THR . 84.0 p -77.8 165.27 24.38 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.125 0.488 . . . . 1.0 110.688 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 54.61 6.29 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 253' ' ' THR . . . . . 0.481 ' H ' ' C ' ' B' ' 251' ' ' SER . 58.9 m -130.01 124.51 33.12 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.398 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -179.82 45.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.445 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' B' ' 257' ' ' SER . 89.2 mtm180 -77.56 -82.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.569 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 6.8 p 43.51 20.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.664 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 257' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 255' ' ' ARG . 67.8 m -157.28 167.04 31.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.584 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 11.3 t 59.39 73.16 0.7 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.544 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.11 149.67 88.03 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.894 2.396 . . . . 1.0 111.978 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -56.1 136.78 47.91 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.874 -0.89 . . . . 1.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 85.3 mt -107.3 128.31 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.848 0.356 . . . . 1.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -149.81 -6.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.539 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -79.54 128.74 33.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -169.68 159.61 32.4 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 44.3 t 39.09 71.86 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.939 0.399 . . . . 1.0 110.83 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 266' ' ' GLU . . . . . 0.406 ' OE2' ' N ' ' B' ' 266' ' ' GLU . 58.6 mp0 -67.29 -38.87 85.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.624 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -155.36 141.17 18.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.471 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -140.61 104.58 4.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.421 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -86.32 131.0 10.25 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.09 110.68 26.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 1.0 110.382 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -109.18 3.43 21.82 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.448 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.6 -45.61 93.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.539 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 54.9 92.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.46 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -67.11 142.38 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.581 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 18.7 tptp 60.65 98.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.604 HD13 ' O ' ' B' ' 276' ' ' LEU . 0.2 OUTLIER -62.13 -44.21 97.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.841 -179.202 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 277' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' B' ' 279' ' ' GLU . 6.9 tpt180 71.81 -52.89 0.69 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.896 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 48.46 -86.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.639 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 279' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' B' ' 277' ' ' ARG . 41.4 tt0 58.0 104.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.518 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 280' ' ' TRP . . . . . 0.513 ' CG ' ' O ' ' B' ' 280' ' ' TRP . 74.8 t-105 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.509 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -63.22 -40.24 96.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 m 47.46 -169.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.419 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -86.86 161.61 18.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.002 -179.774 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . 70.87 -62.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.509 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' ASP . . . 79.59 -161.36 46.32 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.408 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 60.3 mt -65.53 71.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.918 0.39 . . . . 1.0 110.279 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 6' ' ' GLY . 2.8 p30 45.31 32.04 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.586 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.1 mtp -85.98 126.43 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.317 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -61.45 121.49 26.3 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HD2' HD11 ' B' ' 213' ' ' LEU . 61.0 ttp180 -74.1 130.75 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 1.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -134.57 142.22 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.919 0.39 . . . . 1.0 110.088 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.9 mp -98.97 126.5 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.256 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.8 tp -114.18 128.4 56.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.0 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -109.15 111.11 22.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.505 ' O ' ' SD ' ' B' ' 209' ' ' MET . 82.5 mt -104.68 -162.28 0.88 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.056 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -130.16 152.17 49.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 1.0 110.284 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -51.27 -39.27 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.418 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.8 -38.73 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.54 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.5 -45.01 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.413 . . . . 1.0 110.754 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.24 -34.69 22.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 1.0 109.929 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.83 -40.35 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.168 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.06 -47.5 79.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.104 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.5 -41.91 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.78 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.21 -41.31 83.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -58.34 -40.75 82.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.04 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.19 -30.58 65.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.65 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.3 mt-10 -70.63 -40.84 72.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.805 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.88 -49.66 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.78 -45.37 94.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.59 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' NH1' HD22 ' A' ' 38' ' ' LEU . 78.2 mtp180 -84.51 -14.84 47.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.768 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' GLU . 15.4 m120 55.48 40.91 31.29 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.536 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 mt -133.59 151.87 78.01 Favored Pre-proline 0 N--CA 1.463 0.178 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.03 151.56 84.06 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.551 2.167 . . . . 1.0 112.161 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 20.7 ptp180 -64.3 -45.82 86.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.284 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -45.59 -41.24 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.104 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.66 -38.67 84.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.542 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.523 HD22 ' NH1' ' A' ' 31' ' ' ARG . 97.5 mt -67.87 -39.46 83.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.647 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.22 -45.28 94.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -56.34 -42.64 78.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.127 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 81.0 mm-40 -68.71 -36.98 79.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.445 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.73 81.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.08 -54.21 37.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 120.694 -0.403 . . . . 1.0 110.463 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -53.46 -50.95 64.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.128 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 1.8 mp0 -65.06 -37.6 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.408 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' GLN . 83.2 t80 -61.01 -44.65 97.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.551 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.42 HD23 HD11 ' B' ' 227' ' ' LEU . 8.7 mt -57.4 -47.94 80.39 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.756 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.5 mt -73.05 -48.91 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.182 0.515 . . . . 1.0 110.846 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 51' ' ' SER . 5.7 t-20 -67.49 -14.76 63.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.926 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -43.45 -13.87 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.646 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.5 p 83.34 50.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.534 0.683 . . . . 1.0 111.104 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.513 ' C ' ' H ' ' A' ' 54' ' ' ALA . 3.9 tp-100 -56.63 80.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.518 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 51' ' ' SER . 54.4 p 51.36 8.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.571 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' H ' ' C ' ' A' ' 52' ' ' GLN . . . -72.76 142.92 48.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.48 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 54' ' ' ALA . 15.5 tpp180 43.95 97.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -59.19 -44.54 92.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.667 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.2 p -76.3 138.54 40.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.493 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 57' ' ' SER . 12.8 m -154.33 59.03 2.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 161.61 45.25 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.786 2.324 . . . . 1.0 112.026 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.83 32.4 11.13 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.072 -0.811 . . . . 1.0 111.072 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -41.5 160.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.948 0.404 . . . . 1.0 110.534 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -66.76 105.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.542 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -93.88 -24.02 17.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.499 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.81 32.56 70.34 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.49 121.07 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.507 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -136.25 141.68 43.94 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.484 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -76.1 88.27 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.429 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -84.47 113.5 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.31 -158.37 20.88 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.0 p -132.86 142.82 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.77 0.319 . . . . 1.0 110.615 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 71' ' ' GLU . 56.9 mp0 -69.68 -164.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.1 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.18 138.56 52.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.711 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 44.86 86.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.395 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -86.59 144.6 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.465 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -118.47 146.95 44.11 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.115 0.483 . . . . 1.0 110.62 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.1 mt 55.89 -167.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.323 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -83.53 139.0 33.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.4 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.33 139.83 54.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.576 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -88.0 -0.15 56.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.512 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.532 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.42 ' HG2' ' H ' ' B' ' 203' ' ' SER . 44.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.206 -0.664 . . . . 1.0 109.206 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ASN . . . . . 0.45 ' O ' ' O ' ' B' ' 203' ' ' SER . 26.0 p-10 -63.2 -35.17 79.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.565 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 203' ' ' SER . . . . . 0.45 ' O ' ' O ' ' B' ' 202' ' ' ASN . 15.6 t 56.59 118.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 78.4 mt -87.49 9.12 21.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.352 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -56.58 145.28 28.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 84.55 147.74 8.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.391 -1.084 . . . . 1.0 110.391 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 28.6 mm -108.79 114.38 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 120.796 0.331 . . . . 1.0 110.227 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.45 ' OD2' ' O ' ' B' ' 208' ' ' ASP . 61.9 t0 -118.23 23.23 11.71 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.292 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 209' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 9.0 mmm -105.26 -179.29 3.9 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.208 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 210' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -115.65 -7.55 15.57 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 111.149 -0.78 . . . . 1.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.1 ttp180 58.16 133.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.026 0.441 . . . . 1.0 110.419 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.503 ' CD1' HD12 ' A' ' 16' ' ' LEU . 95.6 mt -140.76 154.99 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.13 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.503 HD11 ' HD2' ' A' ' 11' ' ' ARG . 9.8 tp -113.87 140.08 48.65 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.602 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.686 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.4 OUTLIER -143.09 146.93 34.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.766 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.686 ' H ' HD23 ' B' ' 214' ' ' LEU . 92.3 m-20 -114.59 115.3 26.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.694 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 10' ' ' GLY . 4.1 mm? -115.51 145.76 42.32 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.873 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 65.4 m -59.03 -160.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.344 -0.844 . . . . 1.0 109.819 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -107.2 -22.24 12.68 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.669 0.271 . . . . 1.0 110.52 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 219' ' ' GLU . . . . . 0.558 ' OE2' ' N ' ' B' ' 219' ' ' GLU . 55.4 mp0 -75.97 -32.8 59.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.692 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.49 -45.07 79.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.77 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -52.96 -34.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 1.0 109.897 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.53 -39.97 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.206 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -66.19 -46.95 75.54 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.004 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.68 -41.98 99.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.88 -40.12 91.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.212 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.91 -38.83 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.033 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 227' ' ' LEU . . . . . 0.42 HD11 HD23 ' A' ' 47' ' ' LEU . 95.5 mt -73.24 -29.3 62.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.678 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 232' ' ' ASN . 41.3 mt-10 -70.65 -39.04 73.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.852 0.358 . . . . 1.0 110.752 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.1 -49.41 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -63.4 -46.11 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.674 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -82.92 -14.17 54.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.71 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' B' ' 228' ' ' GLU . 76.8 m-20 51.31 46.89 25.81 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.786 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -135.91 158.09 74.64 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.68 148.7 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.741 2.294 . . . . 1.0 112.808 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 235' ' ' ARG . 39.3 ttp-105 -60.39 -44.81 95.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.355 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.92 -41.14 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.249 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -65.53 -37.55 87.07 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.575 ' HG ' HD21 ' B' ' 233' ' ' LEU . 42.4 mt -66.48 -42.3 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.867 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.18 -46.84 82.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.819 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.63 -44.05 93.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.97 -38.21 82.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.767 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.17 96.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.82 -52.15 53.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.149 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -52.08 -47.34 65.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.933 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.98 -41.71 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.846 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.55 -41.72 95.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.799 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.52 -44.44 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.049 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 249' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' B' ' 251' ' ' SER . 52.7 t30 -63.98 -39.21 93.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.125 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -79.45 32.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.529 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 251' ' ' SER . . . . . 0.408 ' H ' ' C ' ' B' ' 249' ' ' ASN . 15.1 m -164.89 59.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.624 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -85.35 83.97 7.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 3.5 p 44.04 33.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -118.09 84.63 2.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.347 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -84.13 139.87 32.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.335 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 59.9 p -97.22 167.3 11.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.608 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 42.7 m -73.02 178.89 4.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.336 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.44 60.23 51.09 Favored Pre-proline 0 N--CA 1.465 0.306 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.85 158.66 54.92 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.841 2.361 . . . . 1.0 112.093 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -56.52 155.88 13.39 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.722 -0.951 . . . . 1.0 110.722 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 261' ' ' ILE . . . . . 0.437 ' O ' HG23 ' B' ' 261' ' ' ILE . 20.0 tt -95.63 130.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.88 0.372 . . . . 1.0 110.562 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 61.0 t-105 -63.93 -43.08 96.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.417 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -102.68 110.6 22.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.023 0.439 . . . . 1.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -71.9 103.14 1.23 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.88 -29.17 70.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.953 0.406 . . . . 1.0 110.603 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.78 -34.65 78.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.478 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 55.95 -110.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.521 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.22 -5.13 55.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.582 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 87.29 164.64 40.37 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 270' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 272' ' ' TYR . 31.1 m -79.89 -12.0 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 1.0 110.561 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -41.41 92.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.76 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 272' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' B' ' 270' ' ' VAL . 88.1 t80 -81.71 131.96 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.51 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 273' ' ' GLN . . . . . 0.497 ' O ' ' CE2' ' B' ' 272' ' ' TYR . 65.8 tt0 -68.08 127.26 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.424 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -74.34 141.7 45.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.637 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -159.28 97.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.351 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.586 HD12 ' N ' ' B' ' 276' ' ' LEU . 9.7 mp -89.25 134.02 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.467 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.15 139.09 46.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.467 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -162.67 120.53 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.696 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -70.0 -38.63 76.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.601 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.929 -1.034 . . . . 1.0 110.626 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 4' ' ' LEU . 52.1 t-20 -87.11 75.6 9.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t -61.73 -42.19 98.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.693 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 4' ' ' LEU . 8.8 mp -77.4 135.45 38.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.461 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -172.56 -75.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.472 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 166.4 101.96 0.16 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 pt -95.36 96.83 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.217 0.532 . . . . 1.0 110.527 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.5 t0 48.21 73.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.492 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 72.2 mtp -134.55 -179.05 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.78 140.02 10.41 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -91.32 147.53 22.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 1.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' B' ' 214' ' ' LEU . 8.1 mm -134.13 154.93 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.581 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' N ' HG22 ' A' ' 12' ' ' ILE . 37.3 tp -116.62 121.47 41.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -127.81 138.17 52.63 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.455 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 41.1 p-10 -115.0 113.99 24.83 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.801 0.334 . . . . 1.0 110.793 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -114.7 139.49 49.62 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.766 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -56.99 157.43 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.251 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 19' ' ' GLU . 41.5 p-10 -65.53 -26.67 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.577 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 18' ' ' ASN . 79.6 tt0 -67.74 -38.9 84.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.554 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.19 -43.24 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.533 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.6 -36.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -66.08 -40.59 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.274 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -63.64 -48.91 75.32 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.749 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.88 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.646 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -42.87 82.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -61.76 -42.84 99.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 1.0 110.195 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.19 -33.3 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.746 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 32' ' ' ASN . 33.5 mt-10 -65.12 -43.29 92.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.83 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.44 -44.29 98.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -67.49 -40.48 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 39.1 mmm-85 -88.21 -3.47 58.86 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.808 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' GLU . 5.0 p-10 43.6 41.37 3.42 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -135.08 150.55 73.3 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.943 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.52 152.48 78.42 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.541 2.161 . . . . 1.0 112.058 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -62.47 -40.31 96.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.7 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.65 52.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.368 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -65.13 -42.14 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.53 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.81 -41.46 95.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.797 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.58 -41.95 99.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.734 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.57 -43.54 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.188 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.31 -44.52 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.95 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.583 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.72 -53.66 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.839 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -56.84 -44.79 82.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.322 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -54.84 -45.36 74.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.695 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -64.83 -45.18 87.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 51' ' ' SER . 49.4 mt -62.61 -44.85 95.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.155 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.7 mt -54.35 -39.27 43.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 C-N-CA 120.791 -0.364 . . . . 1.0 110.482 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -85.18 -29.75 24.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.789 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.654 ' O ' ' N ' ' A' ' 52' ' ' GLN . 11.5 tp60 -96.64 -72.33 0.64 Allowed 'General case' 0 N--CA 1.435 -1.207 0 CA-C-O 118.37 -0.824 . . . . 1.0 109.768 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p 29.79 -82.24 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.987 1.43 . . . . 1.0 110.678 178.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.654 ' N ' ' O ' ' A' ' 50' ' ' GLN . 73.2 mt-30 -46.86 147.37 1.33 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.996 -1.456 . . . . 1.0 110.153 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.8 m -126.85 128.08 45.97 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.533 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.2 34.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -91.97 102.94 15.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.441 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.5 m -88.3 -12.87 42.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.459 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 t 63.55 139.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.289 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.9 m -141.87 60.81 11.7 Favored Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.63 154.7 70.94 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.698 2.265 . . . . 1.0 111.989 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.4 92.39 0.9 Allowed Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.663 -0.975 . . . . 1.0 110.663 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.3 pt -92.86 142.99 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.859 0.361 . . . . 1.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -59.46 -36.9 76.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.87 130.06 41.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.48 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.73 129.46 2.59 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 110.718 -0.953 . . . . 1.0 110.718 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 75.0 m -125.4 151.86 45.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.881 0.372 . . . . 1.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 68' ' ' ASP . 17.3 pt-20 -151.14 -179.95 7.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.537 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.69 40.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.565 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' A' ' 66' ' ' GLU . 49.8 p30 -58.29 168.05 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.586 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.88 106.16 0.39 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -138.45 142.41 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.939 0.399 . . . . 1.0 110.334 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -156.15 79.29 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.571 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.02 128.73 37.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.544 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -79.11 115.53 18.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.351 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -79.33 131.19 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.574 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -139.46 135.38 33.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.522 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 76' ' ' LEU . 9.6 mp -72.88 56.74 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -60.98 -42.61 98.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.592 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 57.06 106.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.513 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -65.59 -42.8 91.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.453 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.53 ' O ' ' N ' ' B' ' 203' ' ' SER . 12.2 ptt? . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 51.76 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.608 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 203' ' ' SER . . . . . 0.53 ' N ' ' O ' ' B' ' 201' ' ' MET . 15.3 m 47.86 56.07 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.506 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.632 HD22 ' N ' ' B' ' 204' ' ' LEU . 3.5 mm? 57.88 145.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.898 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.39 88.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.676 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 148.0 -177.28 26.37 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 207' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' B' ' 209' ' ' MET . 1.1 tt -92.92 99.62 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.249 0.547 . . . . 1.0 110.086 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' B' ' 209' ' ' MET . 2.4 p30 42.51 21.18 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.541 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 209' ' ' MET . . . . . 0.518 ' N ' ' O ' ' B' ' 207' ' ' ILE . 54.7 mmm 45.51 -172.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.213 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 210' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -113.58 -8.54 18.59 Favored Glycine 0 N--CA 1.466 0.7 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 80.7 ttt180 56.2 117.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 1.0 110.163 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.4 mm -121.41 147.37 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 22.2 tp -110.42 121.09 44.45 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.215 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 12' ' ' ILE . 41.8 tp -128.96 140.11 51.8 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.776 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' B' ' 215' ' ' ASP . 22.2 p30 -127.7 123.88 36.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.454 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' B' ' 217' ' ' SER . 63.4 mt -122.59 152.72 40.15 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.623 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 217' ' ' SER . . . . . 0.615 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -47.31 -158.76 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.876 0.735 . . . . 1.0 110.664 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -106.18 -39.1 6.06 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 122.034 -0.416 . . . . 1.0 110.94 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -32.27 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.352 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.26 -47.6 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.467 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.18 -33.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.2 -39.67 89.83 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.98 -46.7 88.09 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 224' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' B' ' 224' ' ' LEU . 3.4 mm? -62.53 -43.68 98.21 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.677 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.82 -47.88 81.37 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 123.553 0.533 . . . . 1.0 110.466 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.61 -47.13 87.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 227' ' ' LEU . . . . . 0.419 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.2 mt -65.86 -34.14 77.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.915 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 3.6 tm-20 -65.75 -42.5 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.033 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.876 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.83 -42.99 72.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.976 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.472 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.5 mmm180 -68.4 -38.61 81.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.661 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 50.2 t30 73.39 48.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.17 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.606 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.83 158.72 32.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.51 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.16 145.13 93.87 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.492 2.128 . . . . 1.0 112.235 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -61.44 -38.75 88.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.353 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.26 54.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.122 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.09 -40.64 98.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 109.996 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.453 HD21 ' HE ' ' B' ' 231' ' ' ARG . 83.0 mt -63.38 -43.34 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.088 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.68 -44.09 94.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.22 -42.43 90.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.359 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.24 -39.28 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.56 93.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.501 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.06 -53.62 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.473 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -53.86 -48.45 69.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.856 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -56.79 -42.72 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.73 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.08 -43.2 99.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.481 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.29 -45.11 95.84 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.529 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 248' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' B' ' 250' ' ' GLN . 89.1 mt -53.92 -43.4 57.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -46.59 -14.98 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.518 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 250' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' B' ' 248' ' ' ILE . 23.3 mt-30 -54.87 -40.76 70.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.768 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 32.6 t -134.01 100.71 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 1.0 110.504 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -159.04 -12.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.393 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 99.6 m -61.66 -47.87 83.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.745 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 50.06 -166.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -92.21 97.25 10.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.488 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 256' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 258' ' ' VAL . 50.3 p -69.31 -31.16 69.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.584 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 46.3 t 56.18 -80.93 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.655 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 258' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' B' ' 256' ' ' THR . 3.4 m -147.06 151.47 41.32 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.76 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -44.48 133.42 9.67 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.433 2.089 . . . . 1.0 112.084 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 145.8 106.2 0.48 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 261' ' ' ILE . . . . . 0.487 HG23 ' N ' ' B' ' 262' ' ' TRP . 10.4 tp -67.61 -41.17 85.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.849 0.357 . . . . 1.0 110.675 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 262' ' ' TRP . . . . . 0.487 ' N ' HG23 ' B' ' 261' ' ' ILE . 91.4 t90 -83.34 113.58 20.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.213 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -108.16 144.72 35.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.209 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -160.69 55.1 0.33 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 1.6 p -62.28 -42.68 99.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.328 . . . . 1.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.6 136.96 57.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.388 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -120.57 124.92 46.49 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.435 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -42.19 98.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.354 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 93.36 110.73 2.06 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.7 -0.96 . . . . 1.0 110.7 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 270' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' B' ' 272' ' ' TYR . 14.7 p -140.76 138.23 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.691 0.282 . . . . 1.0 110.404 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 47.19 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.572 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 272' ' ' TYR . . . . . 0.546 ' N ' ' O ' ' B' ' 270' ' ' VAL . 64.5 t80 -167.28 40.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.515 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 51.87 -108.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.56 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -78.46 136.38 37.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.77 0.319 . . . . 1.0 110.553 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -89.27 138.72 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.519 ' N ' HD22 ' B' ' 276' ' ' LEU . 4.0 mm? -63.78 -42.18 97.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.849 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -173.7 -2.09 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.625 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.64 136.35 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.399 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 279' ' ' GLU . . . . . 0.518 ' OE2' ' N ' ' B' ' 280' ' ' TRP . 2.9 pp20? -90.08 -168.68 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 1.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 280' ' ' TRP . . . . . 0.518 ' N ' ' OE2' ' B' ' 279' ' ' GLU . 65.7 p-90 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.725 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.544 ' O ' ' N ' ' A' ' 3' ' ' SER . 97.5 mmm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.8 t30 55.71 -79.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 1' ' ' MET . 2.6 m 54.7 99.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 5' ' ' ALA . 56.3 mt 55.92 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.718 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' SER . . . 50.0 176.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.402 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.77 62.4 0.04 OUTLIER Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.788 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -84.27 2.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.969 0.414 . . . . 1.0 110.417 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -107.06 12.81 28.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.787 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.414 ' SD ' ' OG ' ' B' ' 217' ' ' SER . 90.5 mmm -75.7 114.6 14.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.688 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.26 129.55 14.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -84.26 145.01 28.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 1.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' C ' HD22 ' A' ' 13' ' ' LEU . 64.9 mt -139.49 149.51 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.579 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.9 mm? -95.4 123.88 39.15 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 120.989 0.423 . . . . 1.0 110.669 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.728 HD21 HD13 ' B' ' 239' ' ' LEU . 0.8 OUTLIER -114.12 130.3 56.59 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.437 -0.801 . . . . 1.0 111.08 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -101.58 111.06 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.616 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' B' ' 210' ' ' GLY . 20.8 mt -124.55 132.96 53.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.514 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.02 155.01 11.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.397 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -59.97 -36.65 77.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.425 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 19' ' ' GLU . 54.2 mp0 -56.57 -36.19 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.621 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.57 -43.16 80.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.941 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.7 mm -52.97 -40.68 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.087 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -63.69 -40.24 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.312 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.02 -47.18 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.067 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 73.0 mt -58.19 -44.3 87.97 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.401 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.63 ' O ' HG23 ' A' ' 29' ' ' VAL . 27.5 t70 -62.14 -34.77 76.99 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.954 0.406 . . . . 1.0 110.667 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -66.44 -50.29 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.449 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 pp -79.53 -28.89 41.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.289 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 78.1 tt0 -75.66 -38.23 58.96 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.975 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 25' ' ' ASP . 40.7 t -65.41 -45.99 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.224 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -67.46 -36.69 81.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.579 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -71.73 -17.91 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.62 41.02 32.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 mt -137.73 152.23 72.16 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.795 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.87 144.41 93.36 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.565 2.177 . . . . 1.0 112.145 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 36' ' ' ALA . 49.7 ptt85 -60.49 -39.91 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.323 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 35' ' ' ARG . . . -49.16 -41.25 35.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.097 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.03 -42.8 80.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.748 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.86 -42.53 85.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.63 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.72 HD13 HD21 ' B' ' 214' ' ' LEU . 84.2 mt -63.17 -45.53 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.7 -43.46 85.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.296 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -65.25 -41.04 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.533 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.365 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.5 -53.39 32.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -51.96 -43.24 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.94 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -56.58 -38.85 72.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.49 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' OH ' ' NH1' ' B' ' 231' ' ' ARG . 51.4 t80 -62.41 -40.48 96.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.389 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.57 -40.57 87.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.656 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mm -58.78 -46.78 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' THR . 44.6 t-20 -62.86 -41.1 99.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' OE1' ' NH2' ' B' ' 231' ' ' ARG . 15.1 mm100 -57.44 -43.73 84.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.6 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.4 m -59.03 -42.84 91.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.439 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -87.12 -9.21 55.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.424 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' ASN . 73.1 p 49.51 -175.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.469 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.5 137.29 57.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.442 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -136.45 140.03 42.81 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.357 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.1 m 56.95 104.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.557 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -71.25 163.99 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.42 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.61 73.17 29.57 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.992 0.425 . . . . 1.0 110.543 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -59.89 146.92 94.57 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.788 2.326 . . . . 1.0 111.936 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.07 -88.02 0.01 OUTLIER Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.6 pt -133.46 155.95 41.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.328 . . . . 1.0 110.712 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -74.03 -76.94 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.389 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -165.37 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.598 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.12 94.44 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' GLU . 48.9 t 47.97 83.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 1.0 110.638 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 46.02 -94.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.565 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' CYS . 81.4 tt0 56.4 77.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.447 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.0 85.81 7.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.465 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.61 -30.39 64.25 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 72' ' ' TYR . 15.0 p -60.32 -26.47 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.616 0.246 . . . . 1.0 110.599 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -39.62 92.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.683 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -107.87 156.26 19.37 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.467 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.476 ' C ' ' H ' ' A' ' 75' ' ' LYS . 67.5 tp60 -65.65 -44.67 85.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.645 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.459 ' HE ' ' CA ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER 53.92 7.09 0.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.838 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 73' ' ' GLN . 98.4 mttt 42.23 24.78 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.578 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' ARG . 50.3 tp -62.13 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.653 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -100.74 134.69 43.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.467 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -75.83 142.22 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -152.46 146.63 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.646 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.514 ' CD1' ' OXT' ' A' ' 80' ' ' TRP . 76.8 t-105 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.503 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' B' ' 201' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ASN . . . . . 0.409 ' H ' ' CG ' ' B' ' 201' ' ' MET . 98.6 m-20 55.89 35.26 25.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.423 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 22.9 t -146.42 114.38 6.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.541 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.63 34.28 0.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.325 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -162.62 61.51 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.627 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 157.76 42.31 0.02 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 1.1 tt -102.61 114.0 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 120.969 0.414 . . . . 1.0 110.055 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 54.5 t0 59.46 73.82 0.47 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.537 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 85.4 mtp -82.03 138.09 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.363 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 210' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -50.35 119.4 7.15 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.633 -0.987 . . . . 1.0 110.633 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -97.47 120.59 38.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 1.0 110.52 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.74 150.2 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.53 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.517 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.8 mp -94.4 130.67 40.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.15 0.5 . . . . 1.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -111.85 131.48 55.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.345 -0.843 . . . . 1.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.438 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 44.7 p-10 -103.63 114.81 29.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.718 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 75.7 mt -134.14 137.68 44.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 217' ' ' SER . . . . . 0.414 ' OG ' ' SD ' ' A' ' 9' ' ' MET . 4.9 m -57.33 152.31 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.269 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -63.3 -23.72 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.552 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.46 -35.67 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.538 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.39 -43.62 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.835 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.4 mt -53.01 -38.3 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.152 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.66 -46.84 77.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.931 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.92 -44.19 97.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.369 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.72 -37.5 86.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.388 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.51 -40.86 98.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.491 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.2 mt -79.05 -28.46 43.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.918 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' B' ' 233' ' ' LEU . 14.5 tm-20 -62.62 -40.6 97.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.783 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.18 -42.28 87.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.171 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.18 -47.73 71.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.879 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.437 ' NH1' ' OH ' ' A' ' 46' ' ' TYR . 99.4 mtt180 -86.84 -32.51 20.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.598 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.481 ' C ' HD12 ' B' ' 233' ' ' LEU . 47.8 t30 70.72 37.9 1.32 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.644 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.481 HD12 ' C ' ' B' ' 232' ' ' ASN . 9.0 mp -115.23 157.18 44.39 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.53 141.62 95.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.482 2.122 . . . . 1.0 111.976 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 235' ' ' ARG . 34.0 ttm105 -60.18 -43.71 95.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.36 -40.94 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.192 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -66.23 -40.74 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.204 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.03 -44.36 89.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.603 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 239' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 14' ' ' LEU . 87.8 mt -68.22 -47.56 67.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.227 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.49 -43.56 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.94 -38.36 86.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.493 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.48 79.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.181 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.3 t -67.86 -52.69 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.274 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -50.95 -41.15 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.518 . . . . 1.0 109.6 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -62.24 -40.25 95.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.829 0.347 . . . . 1.0 110.417 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -62.53 -43.74 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.556 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.87 -45.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -66.71 -40.84 88.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.894 0.378 . . . . 1.0 110.319 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -83.82 21.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.504 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 22.6 t -92.73 -16.5 25.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.842 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -143.43 154.3 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.485 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 253' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 255' ' ' ARG . 26.3 m -145.52 89.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.506 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 49.08 -86.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.712 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' B' ' 253' ' ' THR . 12.4 tpt180 -157.17 -71.86 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 32.1 m 46.94 73.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.592 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 50.6 m -80.69 -51.12 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.3 m -85.39 151.01 55.65 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.722 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -43.04 131.33 6.04 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.511 2.141 . . . . 1.0 112.056 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 260' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' B' ' 262' ' ' TRP . . . -100.99 47.54 1.2 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 39.9 pt -75.03 36.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 1.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 262' ' ' TRP . . . . . 0.451 ' H ' ' C ' ' B' ' 260' ' ' GLY . 95.8 m95 -82.94 138.23 33.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.513 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 48.19 78.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.601 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -88.07 100.37 2.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 53.0 t -83.07 -42.34 17.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 1.0 110.615 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 266' ' ' GLU . . . . . 0.535 ' N ' ' OE2' ' B' ' 266' ' ' GLU . 58.1 mp0 -81.83 111.21 17.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.705 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.39 -37.76 80.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.497 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 47.3 t0 58.65 30.84 20.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.549 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 269' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' B' ' 271' ' ' GLU . . . 156.02 -168.47 33.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 270' ' ' VAL . . . . . 0.418 HG12 ' H ' ' B' ' 272' ' ' TYR . 16.6 t 57.81 -76.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.668 0.271 . . . . 1.0 110.595 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 271' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 269' ' ' GLY . 72.9 mm-40 54.0 35.17 21.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.569 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 272' ' ' TYR . . . . . 0.541 ' CE2' ' O ' ' B' ' 273' ' ' GLN . 76.2 t80 -135.84 149.27 49.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.412 . . . . 1.0 110.442 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 273' ' ' GLN . . . . . 0.576 ' CD ' ' H ' ' B' ' 273' ' ' GLN . 0.1 OUTLIER -97.83 143.57 28.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.361 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 274' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 273' ' ' GLN . 79.8 mtp85 56.35 156.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -142.54 126.44 17.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.528 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.556 HD12 ' N ' ' B' ' 276' ' ' LEU . 9.8 mp -93.59 126.21 38.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.993 0.425 . . . . 1.0 110.066 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 277' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 278' ' ' GLU . 72.1 ttp85 -79.43 -84.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.71 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 278' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' B' ' 277' ' ' ARG . 43.5 tp10 38.7 94.2 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.545 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.6 -42.93 98.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.666 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.663 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 2' ' ' ASN . 49.4 p-10 -154.82 132.18 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.579 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -66.7 -19.87 65.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.2 mp -62.61 -42.02 99.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.438 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.44 144.24 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.456 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.95 138.11 10.15 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.718 -0.953 . . . . 1.0 110.718 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.476 ' O ' ' SD ' ' A' ' 9' ' ' MET . 84.2 mt -90.01 80.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 1.0 110.246 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.513 ' O ' ' ND2' ' B' ' 218' ' ' ASN . 66.3 t0 45.51 43.67 9.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.594 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.476 ' SD ' ' O ' ' A' ' 7' ' ' ILE . 20.9 mmm -79.38 174.33 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.077 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -118.24 -5.19 13.31 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' GLY . 60.9 ttp180 57.81 121.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.005 0.431 . . . . 1.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mm -131.98 143.87 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.546 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.6 mt -99.62 129.93 45.81 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.577 -0.738 . . . . 1.0 110.506 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD13 HD13 ' B' ' 239' ' ' LEU . 45.1 tp -125.2 133.75 52.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.75 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' B' ' 210' ' ' GLY . 64.2 t0 -111.49 113.87 26.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.996 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 mt -124.53 144.49 50.09 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -58.59 154.04 15.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.092 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.81 -37.58 88.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.756 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -57.29 -36.63 71.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.612 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.75 -43.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.8 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.35 -37.99 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -64.53 -39.3 93.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -65.7 -49.03 70.02 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.001 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.47 -39.67 91.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -56.33 -47.66 78.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.448 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.03 -46.35 88.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 1.0 110.564 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.65 -34.86 72.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.934 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 69.2 tt0 -66.69 -41.97 87.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.881 0.372 . . . . 1.0 110.599 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.71 -44.23 89.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -61.19 -39.24 89.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.665 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.549 ' NH1' ' OH ' ' B' ' 246' ' ' TYR . 81.0 mtp180 -84.14 -4.83 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER 43.72 43.29 4.84 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.431 179.735 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.9 mt -134.7 152.85 78.36 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.55 145.56 98.56 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.515 2.143 . . . . 1.0 112.216 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' N ' ' OE2' ' A' ' 28' ' ' GLU . 80.8 ttt180 -63.63 -42.4 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.261 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -40.83 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.248 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.29 -38.64 91.77 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' NH1' ' A' ' 31' ' ' ARG . 99.3 mt -62.44 -44.11 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD13 HD13 ' B' ' 214' ' ' LEU . 90.6 mt -64.16 -43.73 94.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.021 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -57.28 -46.33 83.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.322 0.582 . . . . 1.0 110.125 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.55 -40.63 76.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.234 -0.894 . . . . 1.0 110.487 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.48 -48.77 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.56 -51.52 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.059 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -52.83 -48.02 67.29 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -64.1 -37.28 86.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.968 0.413 . . . . 1.0 110.245 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.618 ' CE2' ' NE2' ' A' ' 50' ' ' GLN . 49.3 t80 -61.52 -43.2 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.38 -39.95 92.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.658 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.492 ' O ' ' O ' ' A' ' 51' ' ' SER . 95.8 mt -61.45 -44.24 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 51' ' ' SER . 51.3 t30 -61.5 -34.56 75.71 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 119.993 -0.683 . . . . 1.0 109.959 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.618 ' NE2' ' CE2' ' A' ' 46' ' ' TYR . 0.9 OUTLIER -70.09 39.65 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.635 -0.711 . . . . 1.0 109.851 179.175 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 49' ' ' ASN . 1.1 t 83.78 -161.89 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 51' ' ' SER . 6.6 tt0 80.49 67.37 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 O-C-N 123.792 0.682 . . . . 1.0 110.731 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.44 ' O ' ' O ' ' A' ' 52' ' ' GLN . 27.2 m 53.38 107.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.472 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' ARG . . . -157.97 36.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.598 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 54' ' ' ALA . 2.1 mpt_? 56.34 157.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.305 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.8 p -91.17 162.88 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.331 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -151.22 -53.24 0.13 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.176 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.2 143.68 16.04 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.192 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -45.02 133.43 11.08 Favored 'Trans proline' 0 C--N 1.312 -1.353 0 C-N-CA 122.08 1.854 . . . . 1.0 112.153 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.21 125.69 38.39 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.722 -0.951 . . . . 1.0 110.722 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -99.11 110.57 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.79 0.329 . . . . 1.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.1 m-90 -90.4 -46.08 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.592 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.86 148.21 28.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.466 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.35 50.75 0.83 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.0 m 64.83 164.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 1.0 110.564 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 56.1 mp0 -77.24 139.46 39.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.501 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.6 mp0 -79.67 168.66 19.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.643 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.31 141.88 58.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.374 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.28 -19.53 0.47 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' CE2' ' A' ' 72' ' ' TYR . 35.0 m -134.59 33.9 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.82 0.343 . . . . 1.0 110.579 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 72' ' ' TYR . 17.4 pt-20 -74.27 -3.76 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.664 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.471 ' CE2' ' O ' ' A' ' 70' ' ' VAL . 68.3 m-85 59.01 145.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.557 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.615 ' CD ' ' H ' ' A' ' 73' ' ' GLN . 2.6 pm0 -45.65 173.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.454 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -90.92 9.88 28.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.619 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 54.98 84.77 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.668 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.551 ' N ' HD22 ' A' ' 76' ' ' LEU . 4.0 mm? -63.33 -41.85 98.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.596 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -81.94 143.45 31.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -129.09 133.26 47.6 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 53.25 97.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.492 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.518 ' O ' ' CD2' ' A' ' 80' ' ' TRP . 79.0 t90 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.426 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 50.9 ttp . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -81.97 148.48 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 50.5 m 54.47 101.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.568 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.613 ' N ' HD12 ' B' ' 204' ' ' LEU . 8.7 mp -75.86 142.63 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.377 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 205' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' B' ' 204' ' ' LEU . . . 71.36 -44.21 0.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 206' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' B' ' 204' ' ' LEU . . . 88.46 120.03 1.63 Allowed Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 207' ' ' ILE . . . . . 0.42 ' C ' ' H ' ' B' ' 209' ' ' MET . 4.3 mp -104.41 116.0 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 CA-C-O 121.262 0.553 . . . . 1.0 110.212 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -76.89 37.02 0.18 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.525 -0.762 . . . . 1.0 110.597 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 209' ' ' MET . . . . . 0.42 ' H ' ' C ' ' B' ' 207' ' ' ILE . 78.1 mtp 44.2 -164.23 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.421 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 210' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 15' ' ' ASP . . . -130.32 172.3 20.34 Favored Glycine 0 N--CA 1.465 0.583 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -123.84 129.91 51.77 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.861 0.362 . . . . 1.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.56 141.07 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.257 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.492 HD12 ' N ' ' B' ' 213' ' ' LEU . 11.3 mp -100.91 128.51 46.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.415 HD13 HD13 ' A' ' 39' ' ' LEU . 35.5 tp -124.05 134.68 53.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.538 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.445 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 43.4 p-10 -104.09 110.75 23.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.617 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.561 ' O ' ' O ' ' B' ' 217' ' ' SER . 53.6 mt -115.41 136.62 52.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.646 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 217' ' ' SER . . . . . 0.561 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.2 OUTLIER -50.46 -157.5 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.949 0.781 . . . . 1.0 110.07 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 218' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 84.6 m-20 -110.94 -38.52 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.847 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.97 -32.03 72.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.684 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 79.8 t -68.09 -42.94 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.807 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.18 -38.0 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -64.0 -39.47 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.35 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.81 -47.15 81.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.177 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.93 -42.54 99.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.654 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 225' ' ' ASP . . . . . 0.434 ' O ' HG23 ' B' ' 229' ' ' VAL . 50.2 t0 -62.17 -44.11 97.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -61.68 -44.21 97.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.605 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.3 mp -74.24 -28.75 61.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.612 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -68.7 -38.83 80.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.212 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 229' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 225' ' ' ASP . 57.8 t -60.91 -43.99 96.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.57 -41.94 92.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 1.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.21 -30.0 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.618 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' B' ' 232' ' ' ASN . 2.4 t30 60.59 45.34 10.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.33 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 14.8 mt -139.04 154.12 72.2 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.987 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.6 144.36 99.44 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.193 1.929 . . . . 1.0 111.968 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.2 ptt-85 -58.59 -42.34 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.386 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -50.05 -38.92 40.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.137 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -70.27 -41.14 73.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.1 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.0 -42.53 97.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.46 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 239' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 14' ' ' LEU . 86.1 mt -63.63 -42.64 98.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.65 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.03 -42.32 98.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.262 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.29 -39.15 93.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.506 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.74 95.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.515 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.56 -52.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.638 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -53.63 -45.67 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.088 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.64 -42.59 71.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.519 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 246' ' ' TYR . . . . . 0.549 ' OH ' ' NH1' ' A' ' 31' ' ' ARG . 81.9 t80 -63.54 -42.59 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.041 0.448 . . . . 1.0 110.639 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.6 -38.13 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.781 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.74 -43.91 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.075 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 249' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' B' ' 251' ' ' SER . 39.7 t-20 -65.96 -40.52 91.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.85 0.357 . . . . 1.0 110.454 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -73.21 22.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.581 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 251' ' ' SER . . . . . 0.533 ' H ' ' C ' ' B' ' 249' ' ' ASN . 85.7 p -150.04 -5.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.005 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 252' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' B' ' 251' ' ' SER . 82.3 mt-30 57.11 147.27 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.872 0.367 . . . . 1.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 21.1 p -112.26 -32.67 6.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.444 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -165.19 58.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 53.8 77.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.652 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 21.5 p -152.93 27.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.525 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 6.7 t -62.43 -47.08 85.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 6.8 t -147.11 76.85 11.13 Favored Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.642 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -61.53 146.34 97.06 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.921 2.414 . . . . 1.0 111.526 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 116.89 85.77 1.16 Allowed Glycine 0 N--CA 1.463 0.498 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 261' ' ' ILE . . . . . 0.413 ' O ' HG23 ' B' ' 261' ' ' ILE . 9.6 tp -134.84 132.32 53.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.731 0.301 . . . . 1.0 110.395 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 40.4 p90 -98.41 138.34 35.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.424 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -108.57 134.62 51.09 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -161.53 163.94 34.83 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 11.2 t -149.16 -51.58 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.78 0.324 . . . . 1.0 110.486 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 45.48 85.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.406 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -93.98 69.31 3.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.386 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -139.72 -36.86 0.5 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.514 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 269' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 270' ' ' VAL . . . 79.29 -37.76 2.01 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 270' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' B' ' 269' ' ' GLY . 44.1 t 52.74 107.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.856 0.36 . . . . 1.0 110.514 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 271' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' B' ' 272' ' ' TYR . 57.1 tt0 -165.55 -127.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.244 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 272' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' B' ' 271' ' ' GLU . 88.0 m-85 -158.84 46.74 0.31 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.775 0.322 . . . . 1.0 110.448 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -73.85 130.95 40.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 274' ' ' ARG . . . . . 0.408 ' HA ' ' HE ' ' B' ' 274' ' ' ARG . 0.0 OUTLIER -80.66 -169.33 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.681 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -75.07 54.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.217 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.583 ' N ' HD22 ' B' ' 276' ' ' LEU . 3.7 mm? 54.6 176.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.37 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -140.53 63.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.532 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -158.88 -22.32 0.07 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.518 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 55.39 72.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.582 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 91.0 t90 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.534 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.4 mtm . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.94 -42.01 98.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.543 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -74.9 143.13 43.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.545 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.4 mt -110.13 124.53 51.69 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.022 0.439 . . . . 1.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.75 15.89 10.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.538 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.99 -23.87 62.13 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -89.7 101.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.993 0.425 . . . . 1.0 110.478 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 9' ' ' MET . 67.0 t0 -172.9 56.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.727 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' ASP . 80.7 mtp 47.18 -177.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.47 135.39 8.28 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.728 -0.949 . . . . 1.0 110.728 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -89.93 138.82 31.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.986 0.422 . . . . 1.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 13' ' ' LEU . 66.5 mt -136.34 146.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 1.0 110.26 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.8 mp -100.28 131.77 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.381 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -124.01 130.16 52.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.634 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.452 ' C ' HD22 ' A' ' 16' ' ' LEU . 83.0 m-20 -103.55 125.87 50.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.693 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.3 mm? -108.07 -177.75 3.42 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.639 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.84 6.12 29.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 76.32 -54.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.458 0.474 . . . . 1.0 110.699 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -27.68 65.83 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.171 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.96 -41.13 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.223 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -51.68 -36.98 19.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.05 -37.38 85.7 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -63.59 -49.33 73.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.194 0.521 . . . . 1.0 109.689 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.0 mt -64.85 -34.38 78.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.76 -41.95 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.19 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -62.38 -36.77 83.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 1.0 110.309 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.92 -28.01 55.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.61 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 33' ' ' LEU . 13.6 tm-20 -67.27 -40.06 86.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.87 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.37 -49.9 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.799 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.06 -42.46 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.367 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.0 mmt-85 -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.848 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.05 43.18 30.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 14.8 mt -138.07 153.97 73.8 Favored Pre-proline 0 C--O 1.22 -0.481 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.811 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.35 149.29 82.1 Favored 'Trans proline' 0 C--N 1.301 -1.926 0 C-N-CA 122.799 2.333 . . . . 1.0 112.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.77 -48.78 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.477 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -41.84 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.395 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.03 -40.22 94.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.793 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -41.75 97.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.751 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.35 -48.41 79.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -57.95 -44.08 86.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.318 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.38 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.592 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.0 71.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.445 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.57 -53.79 40.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -51.73 -50.57 60.31 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -61.66 -41.55 97.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.575 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.85 -45.4 94.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.454 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.42 -42.15 98.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.633 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.14 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -64.45 -40.37 95.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.216 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.6 -43.2 99.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.58 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.3 m -58.15 -36.02 72.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.413 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -59.82 -50.65 72.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.66 -179.74 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.6 m -66.23 -46.41 77.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.566 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.79 94.37 9.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.533 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -105.94 -83.14 0.52 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.628 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.52 -1.7 2.52 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.463 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' VAL . 2.0 m 49.38 26.68 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 57' ' ' SER . 20.3 t 60.22 135.3 0.03 OUTLIER Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.612 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.19 142.26 33.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.718 2.279 . . . . 1.0 112.435 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.83 172.62 43.35 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -107.94 114.67 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.058 0.456 . . . . 1.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -96.44 -21.04 17.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.575 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -80.47 84.86 6.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.488 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.71 171.64 55.14 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.5 m -86.84 100.88 12.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.854 0.359 . . . . 1.0 110.441 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.41 -38.08 80.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.443 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -126.21 129.26 48.63 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.986 0.422 . . . . 1.0 110.453 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -92.59 4.26 53.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.59 162.8 29.16 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 p -139.59 140.02 37.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.892 0.377 . . . . 1.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -157.83 139.6 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.576 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -73.91 -108.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.479 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 43.61 70.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.434 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -83.48 139.81 32.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.574 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -80.18 140.05 36.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.604 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 76' ' ' LEU . 7.9 mp -75.82 -105.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.429 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -76.69 -59.09 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.602 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 39.63 79.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.691 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -79.39 -94.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.51 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.3 m95 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.536 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 94.7 mtp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -138.4 84.55 2.03 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 10.6 m -152.95 -39.58 0.1 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.454 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.602 HD22 ' N ' ' B' ' 204' ' ' LEU . 3.8 mm? -74.6 139.31 43.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.673 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -56.51 139.35 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.526 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 206' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' B' ' 208' ' ' ASP . . . -87.6 -162.36 37.79 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 67.2 mt -65.85 75.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 1.0 110.349 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' B' ' 206' ' ' GLY . 89.8 m-20 -119.76 14.27 12.52 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.496 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 80.1 mtp -105.96 119.92 40.43 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.514 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -55.73 174.2 1.14 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.702 -0.959 . . . . 1.0 110.702 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -133.74 129.9 37.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.884 0.373 . . . . 1.0 110.494 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 76.1 mt -132.79 143.47 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.249 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.3 mp -93.13 132.11 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.326 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.421 HD21 HD11 ' B' ' 216' ' ' LEU . 54.7 tp -124.05 131.33 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.551 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.445 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 43.5 p-10 -114.73 111.27 21.01 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.654 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.421 HD11 HD21 ' B' ' 214' ' ' LEU . 52.0 mt -121.47 148.57 44.27 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.664 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.9 m -66.72 155.68 37.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.445 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -60.21 -40.0 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -57.75 -36.43 72.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.524 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.26 -42.27 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.88 -39.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.43 -35.82 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -66.41 -49.02 68.17 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.151 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.43 -39.69 94.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.486 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -52.38 -44.01 65.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.221 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.65 -40.7 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.387 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.39 -29.27 61.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.586 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' B' ' 232' ' ' ASN . 14.2 tm-20 -68.8 -41.34 78.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.762 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.38 -50.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.739 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.01 -42.21 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 26.2 mmt180 -80.59 -16.67 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.571 ' ND2' ' O ' ' B' ' 232' ' ' ASN . 1.8 p-10 43.56 51.69 6.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.586 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.7 mt -139.7 153.79 70.46 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.895 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.19 148.39 78.64 Favored 'Trans proline' 0 C--N 1.3 -1.982 0 C-N-CA 122.773 2.315 . . . . 1.0 112.279 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -60.91 -49.14 78.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.79 11.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.317 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -65.07 -39.84 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.655 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.41 -45.42 91.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.481 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 99.4 mt -66.01 -46.67 77.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.091 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -56.71 -46.41 81.27 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.088 0.471 . . . . 1.0 110.205 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -67.25 -37.28 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.675 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.36 85.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.59 -53.37 39.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -52.34 -50.73 61.74 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.999 0.428 . . . . 1.0 109.984 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -55.92 -43.89 77.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.456 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 246' ' ' TYR . . . . . 0.514 ' OH ' ' NE2' ' B' ' 250' ' ' GLN . 56.8 t80 -60.52 -41.01 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.245 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.7 mt -61.17 -42.59 98.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.78 -46.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.371 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.68 -40.14 96.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 250' ' ' GLN . . . . . 0.514 ' NE2' ' OH ' ' B' ' 246' ' ' TYR . 45.5 mm-40 -65.4 -43.51 90.38 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.536 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 25.9 t -170.29 103.75 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.625 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.74 -40.09 94.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.479 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 59.7 p -94.29 119.08 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.429 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -179.25 -5.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.46 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -101.0 41.79 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.323 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 79.2 m -107.09 114.12 27.99 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.945 0.403 . . . . 1.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 21.4 p -86.88 169.59 12.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.594 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 5.4 t 62.18 60.43 2.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.533 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.19 -18.55 50.89 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.741 2.294 . . . . 1.0 112.056 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 84.72 112.43 0.66 Allowed Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 37.2 pt -130.82 145.57 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.901 0.381 . . . . 1.0 110.526 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -150.59 157.45 43.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.417 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -154.4 156.97 37.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.539 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 264' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' B' ' 265' ' ' CYS . . . 82.12 -123.34 6.03 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 265' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' B' ' 264' ' ' GLY . 6.0 m 61.22 139.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 1.0 110.507 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -153.3 -59.06 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.544 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -65.22 138.69 58.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.654 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -63.37 -42.03 98.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.538 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 269' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' B' ' 270' ' ' VAL . . . 153.11 86.98 0.06 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.916 -0.873 . . . . 1.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 270' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' B' ' 269' ' ' GLY . 4.3 t 59.11 143.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 1.0 110.607 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 271' ' ' GLU . . . . . 0.492 ' N ' ' CD ' ' B' ' 271' ' ' GLU . 0.9 OUTLIER -153.78 106.93 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.414 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -107.22 103.93 13.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.442 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -166.72 170.28 12.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.53 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -138.98 137.93 36.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.588 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -86.45 144.02 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 68.4 mt -67.48 154.75 40.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.605 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -58.69 139.85 55.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.405 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -70.53 137.71 50.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.668 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -67.51 -39.47 85.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.494 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 90.3 t90 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.506 -179.863 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptt? . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.106 -0.701 . . . . 1.0 109.106 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' A' ' 3' ' ' SER . 3.1 m-20 -93.98 17.27 12.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.51 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.6 p 74.81 11.4 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.46 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 75.6 mt 44.44 19.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 3' ' ' SER . . . 64.95 135.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.61 -101.69 0.35 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.723 -0.951 . . . . 1.0 110.723 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.5 mt -108.4 111.15 34.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.992 0.425 . . . . 1.0 110.266 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.437 ' N ' ' OD2' ' A' ' 8' ' ' ASP . 22.2 p-10 -153.8 66.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.539 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.1 mtp -70.65 126.43 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.13 139.21 25.62 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -84.82 139.02 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 1.0 110.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.05 134.97 53.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.23 121.95 37.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.3 tp -101.75 121.92 42.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.909 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 45.8 p-10 -99.86 119.21 37.83 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.95 0.405 . . . . 1.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -151.14 147.79 27.48 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.84 0.829 . . . . 1.0 110.45 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -59.86 156.74 13.68 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.723 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' B' ' 208' ' ' ASP . 74.2 m-80 -68.33 -30.05 68.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.749 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -58.76 -33.73 70.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.92 -45.11 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.683 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 74.5 mt -52.8 -36.53 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.549 -0.538 . . . . 1.0 109.549 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.43 -44.15 95.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.778 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.58 -46.96 71.13 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.881 -0.6 . . . . 1.0 109.875 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.1 tp -65.0 -51.27 62.62 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.784 0.802 . . . . 1.0 109.614 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 17.6 t0 -51.6 -46.17 63.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.067 -0.97 . . . . 1.0 110.259 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.554 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 31.2 t70 -60.7 -37.23 80.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.435 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.5 tp -66.74 -36.7 83.08 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 110.112 -0.329 . . . . 1.0 110.112 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 66.7 tt0 -62.55 -38.43 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.889 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.739 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -64.79 -40.69 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 1.0 110.726 -179.646 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 16.7 mmt85 -77.81 -9.45 59.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.602 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 4.7 p-10 44.3 42.51 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.375 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 mt -137.33 154.67 75.65 Favored Pre-proline 0 N--CA 1.463 0.215 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.589 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.67 144.31 97.89 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.391 2.061 . . . . 1.0 111.919 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.602 HH11 HD11 ' A' ' 39' ' ' LEU . 47.6 ttp85 -61.44 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.661 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.28 -40.41 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.286 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -66.5 -39.01 88.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.828 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 mt -65.37 -43.34 91.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.031 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.602 HD11 HH11 ' A' ' 35' ' ' ARG . 81.6 mt -63.34 -43.48 97.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -61.96 -43.7 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.304 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -66.29 -42.55 88.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.869 0.366 . . . . 1.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.28 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.81 -51.27 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 1.0 110.367 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -54.44 -46.68 73.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.079 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -57.42 -42.39 82.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.468 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.21 -41.85 99.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.469 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.682 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.24 -44.08 97.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.105 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' A' ' 51' ' ' SER . 48.2 t30 -65.66 -39.77 91.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.409 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -72.22 25.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.837 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 49' ' ' ASN . 7.9 t -132.15 -45.35 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.443 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -169.89 -83.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 m 51.45 98.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.529 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.94 -15.75 5.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.55 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -58.05 108.19 0.56 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.395 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m -89.34 6.63 39.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.354 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -57.4 140.62 49.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.343 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 m -152.5 58.65 2.6 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.263 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.98 112.48 3.3 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.688 2.259 . . . . 1.0 111.862 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.34 -121.29 1.23 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.1 mt 57.14 74.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 1.0 110.363 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -90.22 -17.57 27.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.656 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -63.96 -42.58 97.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.65 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.52 -143.99 47.78 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.141 -0.784 . . . . 1.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.8 p -167.51 -22.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 1.0 110.68 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 55.19 168.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.522 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -151.19 -24.12 0.21 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -77.32 171.1 15.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.562 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.98 142.84 43.74 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.9 t -90.01 131.33 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.794 0.331 . . . . 1.0 110.453 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -152.0 115.37 4.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.559 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 40.29 78.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.829 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.85 -36.72 82.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.519 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -68.47 145.75 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.614 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.4 tttp 52.1 45.18 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.487 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -142.44 125.62 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.978 0.418 . . . . 1.0 110.299 179.649 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.577 ' N ' HD13 ' A' ' 76' ' ' LEU . 5.5 tpt180 74.14 -44.82 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.385 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 80' ' ' TRP . 40.7 tp10 46.14 92.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.264 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -50.14 92.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.498 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLU . 65.4 p-90 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.619 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -63.81 -39.88 95.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.585 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 37.5 m -68.2 -16.04 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.728 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 74.2 mt 44.51 25.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.556 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 59.22 -157.47 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.35 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -143.18 140.78 9.95 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 15.9 mm -89.54 73.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 1.0 110.269 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.502 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 75.7 m-20 -96.56 7.13 47.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.634 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 71.8 mtp -83.06 -179.48 7.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.026 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -127.62 40.17 1.8 Allowed Glycine 0 N--CA 1.462 0.376 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -40.82 154.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.782 0.325 . . . . 1.0 110.786 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.43 HG22 ' N ' ' B' ' 213' ' ' LEU . 50.8 mt -138.58 155.85 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.372 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.43 ' N ' HG22 ' B' ' 212' ' ' ILE . 7.1 mt -91.84 138.83 31.23 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 34.9 tp -138.81 142.66 38.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.178 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.486 ' C ' HD12 ' B' ' 216' ' ' LEU . 0.9 OUTLIER -116.5 125.85 52.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 1.0 110.676 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.607 ' O ' ' O ' ' B' ' 217' ' ' SER . 9.8 mp -119.36 144.96 46.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.169 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 217' ' ' SER . . . . . 0.607 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.3 OUTLIER -49.26 -154.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 124.235 0.96 . . . . 1.0 110.023 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 218' ' ' ASN . . . . . 0.42 ' OD1' ' OD2' ' A' ' 8' ' ' ASP . 8.0 m120 -112.07 -40.2 4.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.502 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.71 -32.11 71.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.18 -42.97 79.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.959 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.78 -36.12 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -65.98 -41.13 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.345 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -61.97 -45.57 93.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.002 -0.544 . . . . 1.0 109.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.42 -41.61 98.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.442 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.09 -47.06 86.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.422 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.45 -45.81 92.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.914 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.12 -36.29 82.76 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 235' ' ' ARG . 66.3 tt0 -67.57 -40.12 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.77 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.13 -44.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.78 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.65 -40.64 92.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 1.0 110.744 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.475 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.1 mmm180 -68.87 -36.35 77.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.689 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 74.51 43.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.175 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.597 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -149.32 158.99 37.71 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-O 120.788 0.328 . . . . 1.0 110.118 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.87 142.79 99.26 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.328 2.018 . . . . 1.0 112.009 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 235' ' ' ARG . . . . . 0.525 ' N ' ' OE1' ' B' ' 228' ' ' GLU . 34.6 ptt180 -61.06 -40.97 95.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.161 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.86 -38.88 23.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.024 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -66.05 -38.33 88.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.654 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -42.23 91.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.9 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.358 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.144 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.75 -41.36 83.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.498 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.16 87.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.929 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.44 -50.72 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.383 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.59 -46.08 73.71 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.567 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -63.82 -39.92 95.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.501 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -61.51 -42.75 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.508 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.85 -40.5 95.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.729 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.52 -44.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.021 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -65.57 -39.62 91.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.518 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 250' ' ' GLN . . . . . 0.412 HE22 ' NH2' ' A' ' 31' ' ' ARG . 19.1 mm-40 -62.07 -41.24 97.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.748 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 10.4 t -113.93 55.77 0.72 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.383 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -72.02 131.99 43.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.251 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.28 8.62 0.93 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -66.81 156.68 34.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.593 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' B' ' 256' ' ' THR . 67.7 ttp85 -55.29 -10.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.354 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 256' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' B' ' 255' ' ' ARG . 0.7 OUTLIER 75.78 109.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.565 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 41.7 t -75.56 176.83 7.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.462 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 258' ' ' VAL . . . . . 0.431 ' N ' ' CD ' ' B' ' 259' ' ' PRO . 3.8 t 62.08 54.47 2.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.583 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 259' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' B' ' 258' ' ' VAL . 38.7 Cg_endo -66.5 144.2 72.14 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.729 2.286 . . . . 1.0 112.094 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 58.65 -128.21 47.1 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 94.5 mt 50.91 93.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.699 0.285 . . . . 1.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -78.88 80.96 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.428 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -65.48 -37.1 85.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.47 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 264' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' B' ' 266' ' ' GLU . . . -55.24 157.1 7.97 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 265' ' ' CYS . . . . . 0.443 ' O ' ' O ' ' B' ' 266' ' ' GLU . 2.3 t 72.13 -39.23 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.661 0.267 . . . . 1.0 110.426 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 266' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' B' ' 264' ' ' GLY . 97.1 mt-10 55.96 158.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.389 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -92.36 141.68 28.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.073 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 268' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' B' ' 268' ' ' ASP . 53.6 p30 -128.23 150.69 49.92 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.448 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 140.28 37.15 0.11 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 35.4 m -98.58 -4.82 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.703 0.287 . . . . 1.0 110.677 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -104.34 119.53 39.16 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.132 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 272' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' B' ' 274' ' ' ARG . 32.5 p90 -94.22 -153.35 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.18 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 273' ' ' GLN . . . . . 0.46 ' N ' ' CD2' ' B' ' 272' ' ' TYR . 5.6 tp-100 63.83 -71.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 274' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' B' ' 272' ' ' TYR . 16.4 ptm180 -53.5 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.564 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -61.51 126.66 28.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.244 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.438 ' H ' HD23 ' B' ' 276' ' ' LEU . 0.1 OUTLIER -90.34 -91.7 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.164 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -137.57 128.51 27.32 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.503 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 44.41 -168.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.525 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 279' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' B' ' 280' ' ' TRP . 80.4 mm-40 -138.63 141.85 39.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.434 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 280' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' B' ' 279' ' ' GLU . 76.0 t-105 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.472 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.92 10.36 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.493 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t 55.72 -173.09 0.06 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 6' ' ' GLY . 13.6 tp -90.96 126.86 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.451 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.98 -82.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.494 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . 164.21 114.16 0.3 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.811 -0.915 . . . . 1.0 110.811 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.8 mm -92.96 93.8 4.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 1.0 110.391 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -138.08 35.21 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.414 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 ptm -54.35 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.546 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.4 164.69 15.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 11' ' ' ARG . 46.8 ttm105 -138.94 132.96 31.18 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.167 -0.308 . . . . 1.0 110.167 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 13' ' ' LEU . 42.8 mm -130.66 161.04 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.543 ' N ' HG22 ' A' ' 12' ' ' ILE . 62.1 mt -108.01 140.73 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.045 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 tp -121.97 128.75 51.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.586 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -101.07 115.59 30.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.75 -179.04 4.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.211 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.5 OUTLIER -112.15 7.37 19.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.853 -179.327 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 77.81 -43.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.372 0.42 . . . . 1.0 110.11 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.56 -31.94 72.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.364 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.45 -39.41 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.539 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.1 mt -54.98 -39.96 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -63.49 -38.91 92.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.018 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.02 -49.36 70.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.115 0.483 . . . . 1.0 109.729 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' GLU . 69.2 mt -64.14 -36.84 85.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.494 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -56.1 -43.79 78.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.416 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' HG12 ' A' ' 29' ' ' VAL . 44.1 t0 -61.73 -37.12 83.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.232 0.539 . . . . 1.0 110.29 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 mt -83.65 -27.71 28.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.079 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 33' ' ' LEU . 4.9 tm-20 -78.18 -41.02 35.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.134 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 30' ' ' GLN . 9.7 p -56.38 -48.4 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.024 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.603 ' N ' HG13 ' A' ' 29' ' ' VAL . 88.0 mt-30 -60.41 -42.04 95.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.966 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.517 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 95.6 mtt-85 -78.44 -15.55 58.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.682 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.555 ' O ' ' ND2' ' A' ' 32' ' ' ASN . 0.6 OUTLIER 44.03 50.26 7.3 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.379 0.424 . . . . 1.0 110.651 179.699 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.504 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 16.3 mt -137.37 154.51 75.46 Favored Pre-proline 0 N--CA 1.463 0.191 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.804 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.515 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 18.3 Cg_endo -59.32 144.71 99.31 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.395 2.064 . . . . 1.0 112.431 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.03 -40.13 96.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.484 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.0 -45.24 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.313 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -65.81 -39.49 90.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.557 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 38' ' ' LEU . 92.7 mt -65.18 -41.64 94.39 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.369 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -45.75 88.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.606 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -59.97 -42.96 95.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.139 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -63.5 -38.54 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.78 93.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.281 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.42 -52.94 45.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.008 0.432 . . . . 1.0 110.075 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -52.61 -49.62 64.73 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.853 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -60.89 -40.75 94.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -62.76 -44.13 97.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.55 -41.76 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.625 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -61.79 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.21 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 51' ' ' SER . 29.3 t-20 -65.68 -39.5 91.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.051 0.453 . . . . 1.0 110.426 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' OG ' ' A' ' 51' ' ' SER . 19.8 mm100 -73.31 32.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.715 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 49' ' ' ASN . 2.5 p 77.16 129.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.392 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 54' ' ' ALA . 56.2 tt0 -164.25 -42.74 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.741 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 54' ' ' ALA . 82.4 p 48.87 -86.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.797 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -54.16 133.29 44.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.397 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.9 mtm-85 -96.34 8.4 44.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m 53.87 88.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.202 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.641 ' O ' ' O ' ' A' ' 58' ' ' VAL . 87.2 p -89.42 5.5 44.96 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 118.856 -0.592 . . . . 1.0 110.868 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.641 ' O ' ' O ' ' A' ' 57' ' ' SER . 20.6 m 45.18 149.52 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 124.494 1.121 . . . . 1.0 111.855 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.05 131.11 8.42 Favored 'Trans proline' 0 C--N 1.295 -2.256 0 C-N-CA 121.147 1.232 . . . . 1.0 112.117 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.03 -75.9 1.04 Allowed Glycine 0 N--CA 1.465 0.633 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 61' ' ' ILE . 17.8 tt -109.85 124.56 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.973 0.416 . . . . 1.0 110.512 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.543 ' O ' ' N ' ' A' ' 64' ' ' GLY . 1.0 OUTLIER -173.64 -151.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.61 179.66 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 48.96 -87.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.337 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 62' ' ' TRP . . . 87.39 9.94 71.75 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 95.6 m -148.55 155.86 41.68 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.753 0.311 . . . . 1.0 110.38 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -146.32 -3.62 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.515 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.51 -46.34 80.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.617 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 69' ' ' GLY . 68.2 t0 41.64 -116.91 0.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.623 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 68' ' ' ASP . . . 160.11 83.78 0.05 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.855 -0.898 . . . . 1.0 110.855 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.44 -45.3 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.346 . . . . 1.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -143.67 -27.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.649 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.535 ' O ' ' CD2' ' A' ' 72' ' ' TYR . 68.3 t80 54.61 42.8 31.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 1.0 110.416 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.6 90.32 7.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.422 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 41.79 62.48 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.777 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' LEU . 29.3 mmtp -63.52 -40.89 98.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.744 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 77' ' ' ARG . 85.7 mt -48.6 -101.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.428 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 76' ' ' LEU . 85.5 mtp180 57.04 124.48 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.026 0.441 . . . . 1.0 110.767 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.29 139.71 58.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.546 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -150.4 114.34 5.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.502 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.444 ' CD1' ' N ' ' A' ' 80' ' ' TRP . 5.7 m0 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.009 -0.996 . . . . 1.0 110.592 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ASN . . . . . 0.571 ' O ' ' ND2' ' B' ' 202' ' ' ASN . 0.7 OUTLIER 42.24 41.72 2.24 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.595 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 203' ' ' SER . . . . . 0.444 ' O ' ' O ' ' B' ' 204' ' ' LEU . 6.0 m -87.52 126.48 34.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.257 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 204' ' ' LEU . . . . . 0.564 HD22 ' N ' ' B' ' 204' ' ' LEU . 3.8 mm? 47.56 101.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.779 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 52.43 -155.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.153 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 97.43 -91.98 1.26 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 91.5 mt -111.94 117.63 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-O 120.992 0.425 . . . . 1.0 110.228 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.456 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 38.7 t70 -127.76 26.92 5.82 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.686 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 73.6 mmm -105.04 117.04 32.99 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.173 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.24 168.1 7.11 Favored Glycine 0 C--O 1.225 -0.416 0 N-CA-C 110.393 -1.083 . . . . 1.0 110.393 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -135.19 116.59 14.64 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 110.269 -0.271 . . . . 1.0 110.269 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.1 mm -118.91 147.16 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.463 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.611 HD12 ' N ' ' B' ' 213' ' ' LEU . 9.9 mp -94.67 133.12 38.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.16 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.4 tp -117.7 127.33 53.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 215' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 215' ' ' ASP . 44.1 p-10 -94.01 118.33 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.78 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.28 -167.12 1.64 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.074 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.0 m -133.38 154.35 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.283 0.364 . . . . 1.0 110.297 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.15 -36.01 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.26 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.37 -37.79 88.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.514 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.09 -41.74 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.564 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.73 -39.09 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.04 -40.0 94.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.369 -0.378 . . . . 1.0 109.992 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.8 -49.06 77.84 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.108 0.48 . . . . 1.0 109.746 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.02 -37.4 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.589 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -59.23 -40.88 87.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.972 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.38 -39.61 93.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 1.0 110.234 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.41 -28.83 61.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.441 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 232' ' ' ASN . 4.2 tp10 -69.21 -38.76 78.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 1.0 110.848 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 77.0 t -63.39 -51.53 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.094 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 230' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' B' ' 230' ' ' GLN . 7.6 pt20 -62.02 -40.89 97.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.294 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.574 ' HB3' HD22 ' B' ' 233' ' ' LEU . 19.5 mmt180 -77.58 -28.14 51.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.69 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 232' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' B' ' 228' ' ' GLU . 1.2 t30 52.23 53.02 13.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.424 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.77 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -148.64 159.76 37.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.06 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.78 144.73 99.6 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.792 2.328 . . . . 1.0 112.729 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -62.06 -42.32 99.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.172 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.19 -40.29 15.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.96 -39.1 92.97 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.502 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' B' ' 233' ' ' LEU . 38.7 mt -65.68 -40.64 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.862 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.27 -47.45 85.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.88 -44.52 86.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -68.25 -38.0 81.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.53 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.08 78.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.452 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.41 -53.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.028 0.442 . . . . 1.0 110.178 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.46 -47.79 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 1.0 109.935 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -61.46 -40.38 94.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.633 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.32 -44.43 97.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.1 mt -61.1 -41.94 97.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.613 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.4 -46.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.112 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -64.39 -40.08 95.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.246 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 250' ' ' GLN . . . . . 0.461 HE22 HH21 ' A' ' 31' ' ' ARG . 17.7 mm100 -58.53 -42.33 87.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 6.2 t -57.57 -42.63 83.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.337 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.16 -36.8 85.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.664 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 12.3 m -74.86 80.44 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.454 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -172.89 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.648 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -65.06 -43.46 92.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.505 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 48.6 p -134.03 50.06 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.225 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 257' ' ' SER . . . . . 0.437 ' O ' ' O ' ' B' ' 258' ' ' VAL . 78.0 p -62.94 -52.43 63.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.273 0.558 . . . . 1.0 110.737 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 258' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 257' ' ' SER . 20.9 t 59.12 137.57 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.416 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.5 144.25 52.12 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.445 2.097 . . . . 1.0 112.184 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 168.2 96.8 0.11 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 261' ' ' ILE . . . . . 0.477 ' C ' ' H ' ' B' ' 263' ' ' GLN . 5.0 mp -115.2 127.77 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 121.009 0.433 . . . . 1.0 110.452 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 262' ' ' TRP . . . . . 0.565 ' C ' ' H ' ' B' ' 264' ' ' GLY . 99.1 m95 -76.14 30.45 0.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.505 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 263' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' B' ' 261' ' ' ILE . 45.3 tt0 63.77 -8.42 0.17 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.478 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 264' ' ' GLY . . . . . 0.565 ' H ' ' C ' ' B' ' 262' ' ' TRP . . . 60.36 148.78 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.731 -0.947 . . . . 1.0 110.731 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 98.3 m -141.23 146.56 37.03 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.84 0.352 . . . . 1.0 110.48 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 50.42 94.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.644 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.78 -41.74 95.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 55.41 36.49 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.642 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -88.61 -3.03 78.27 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 270' ' ' VAL . . . . . 0.424 ' O ' ' CD2' ' B' ' 272' ' ' TYR . 34.8 m -85.4 10.6 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 1.0 110.548 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.0 -34.35 76.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.511 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 272' ' ' TYR . . . . . 0.424 ' CD2' ' O ' ' B' ' 270' ' ' VAL . 59.0 m-85 46.12 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.586 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 273' ' ' GLN . . . . . 0.511 ' N ' ' NH1' ' B' ' 274' ' ' ARG . 77.0 mt-30 45.45 84.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.466 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 274' ' ' ARG . . . . . 0.69 ' H ' ' NE ' ' B' ' 274' ' ' ARG . 0.0 OUTLIER -63.32 -42.49 99.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.65 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 275' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 276' ' ' LEU . 21.5 pttp -151.71 -20.5 0.19 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.679 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 276' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 275' ' ' LYS . 44.9 tp 57.09 117.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.666 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -78.45 144.62 35.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.715 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -81.15 -170.52 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.545 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -66.08 -40.15 90.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.493 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 98.4 m95 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.532 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -58.5 -83.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.467 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' OG ' ' A' ' 3' ' ' SER . 7.1 t 55.66 23.01 5.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.439 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.84 135.01 33.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.436 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 6' ' ' GLY . . . -97.29 132.73 42.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.408 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . 49.05 101.73 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 96.4 mt -96.37 111.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.058 0.456 . . . . 1.0 110.273 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' OD2' ' O ' ' A' ' 7' ' ' ILE . 92.8 m-20 -136.19 76.95 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.614 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.6 mtp -64.66 116.57 6.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.443 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.24 -170.78 24.04 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -125.76 137.06 53.78 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.848 0.356 . . . . 1.0 110.21 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.3 150.79 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.157 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' C ' ' A' ' 13' ' ' LEU . 4.9 tt -107.48 115.88 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.061 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.585 ' N ' HD23 ' A' ' 13' ' ' LEU . 53.6 tp -110.53 131.0 55.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -116.55 120.77 39.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.445 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.3 mt -123.88 145.74 48.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 m -60.67 152.01 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.242 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -60.54 -33.51 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.294 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.86 -36.75 70.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.23 -42.36 81.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.685 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.98 -42.22 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.8 -42.9 99.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.43 -45.67 65.41 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.74 -45.23 90.82 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 120.856 0.36 . . . . 1.0 110.123 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.46 -48.58 81.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.43 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.79 -43.94 90.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.514 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.659 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' OE2' ' O ' ' A' ' 33' ' ' LEU . 14.8 tm-20 -65.51 -40.74 93.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -72.56 -32.4 41.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.825 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -57.22 -48.46 78.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -92.24 -14.74 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.744 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 60.15 28.45 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.661 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 5.7 mp -110.88 155.86 41.7 Favored Pre-proline 0 C--O 1.223 -0.317 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.27 147.08 94.1 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.632 2.222 . . . . 1.0 112.134 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -61.36 -42.71 99.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.732 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.19 -38.95 27.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.288 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.82 -41.69 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.422 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.71 -44.56 89.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.49 -45.05 85.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.985 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -56.32 -43.46 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.287 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.04 -38.74 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.703 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.59 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.253 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.78 -53.15 33.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.415 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.07 -45.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -61.11 -40.8 95.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.555 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -63.2 -45.03 93.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.96 -41.34 97.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.804 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.29 -44.19 95.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.099 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.74 -41.75 82.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 1.0 110.373 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.07 -42.98 99.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.498 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 53' ' ' THR . 93.7 p -80.57 -32.33 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.519 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.478 ' HG2' ' H ' ' A' ' 54' ' ' ALA . 57.1 tt0 59.39 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 51' ' ' SER . 65.9 p 44.4 34.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' H ' ' HG2' ' A' ' 52' ' ' GLN . . . -166.71 -170.98 1.73 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.462 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -130.39 139.94 50.61 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.557 ' O ' ' N ' ' A' ' 58' ' ' VAL . 89.2 m -57.3 -85.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.493 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t 54.71 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.516 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 56' ' ' THR . 5.8 t 54.07 61.73 9.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.54 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 60' ' ' GLY . 58.5 Cg_endo -74.21 145.75 35.2 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.811 2.341 . . . . 1.0 112.111 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' PRO . . . 44.52 95.42 0.01 OUTLIER Glycine 0 CA--C 1.518 0.271 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 61' ' ' ILE . 9.9 tp -131.51 134.24 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.874 0.369 . . . . 1.0 110.569 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -141.44 93.8 2.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.518 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.68 -41.26 92.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.585 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.14 15.79 81.26 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.1 t -101.83 173.8 6.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.786 0.326 . . . . 1.0 110.454 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -68.57 137.63 54.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.507 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 67' ' ' GLU . 1.3 pm0 -98.57 -88.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.249 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 53.01 174.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.501 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.49 21.22 70.06 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' TYR . 15.2 m -87.9 30.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 1.0 110.559 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -47.12 94.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.593 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 70' ' ' VAL . 69.8 t80 -93.6 11.11 29.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.487 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 72' ' ' TYR . 65.1 tp60 59.7 124.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.499 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -67.65 141.02 56.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.584 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -86.76 126.44 34.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.492 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.3 mt -77.43 143.83 38.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.522 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.8 146.07 40.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.411 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -136.24 88.51 2.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.34 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -123.95 114.65 20.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.419 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.466 179.798 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 16.2 ptm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -93.22 96.61 10.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.416 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 1.6 p 69.12 11.18 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.601 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 46.6 mt -96.09 114.18 25.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.324 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -172.33 -174.79 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.555 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 76.98 29.62 56.86 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.021 -0.831 . . . . 1.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 13.8 mm -87.06 93.84 4.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 1.0 110.382 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 208' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' B' ' 209' ' ' MET . 97.2 m-20 46.15 52.01 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.558 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 209' ' ' MET . . . . . 0.426 ' O ' ' O ' ' B' ' 208' ' ' ASP . 7.1 ptm -57.05 -157.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.461 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -110.54 -177.86 20.72 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -142.12 126.81 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 1.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 212' ' ' ILE . . . . . 0.405 ' C ' HD12 ' B' ' 213' ' ' LEU . 16.8 mt -141.83 144.06 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.566 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.559 ' C ' HD22 ' B' ' 214' ' ' LEU . 11.0 mp -101.19 126.12 47.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.957 0.408 . . . . 1.0 110.31 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 214' ' ' LEU . . . . . 0.559 HD22 ' C ' ' B' ' 213' ' ' LEU . 4.2 mm? -116.3 132.95 56.52 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.45 -0.796 . . . . 1.0 111.178 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -113.38 125.79 54.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.426 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.8 mt -134.11 144.95 48.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.715 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.4 m -56.39 150.52 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 218' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' B' ' 218' ' ' ASN . 6.5 p30 -60.66 -29.25 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.0 -35.62 81.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.495 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.36 -43.52 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 62.3 mt -54.01 -37.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -65.44 -38.39 89.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.476 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.2 -47.69 76.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.218 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 225' ' ' ASP . . . . . 0.411 ' O ' HG23 ' B' ' 229' ' ' VAL . 53.2 t0 -56.01 -48.1 76.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.553 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 226' ' ' ASP . . . . . 0.546 ' O ' ' NE2' ' B' ' 230' ' ' GLN . 39.4 t0 -59.91 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.64 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.05 -33.68 75.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.121 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 228' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' B' ' 233' ' ' LEU . 70.3 tt0 -67.08 -37.71 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.729 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 229' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 225' ' ' ASP . 58.9 t -65.16 -42.85 95.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 230' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 226' ' ' ASP . 0.2 OUTLIER -58.47 -47.81 82.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.91 -179.182 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -77.7 -22.92 49.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 60.84 62.64 1.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.995 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 233' ' ' LEU . . . . . 0.595 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.34 158.61 32.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.484 -179.784 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -60.67 143.92 99.47 Favored 'Trans proline' 0 C--N 1.302 -1.903 0 C-N-CA 122.402 2.068 . . . . 1.0 111.944 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -62.44 -38.12 88.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.567 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -51.12 -38.6 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.01 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -66.37 -39.29 89.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 1.0 110.488 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 38.6 mt -63.89 -41.68 97.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.754 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.89 -43.08 99.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.528 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -61.58 -42.7 99.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.76 95.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.76 97.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.458 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 82.2 t -65.73 -53.24 40.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.527 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -51.96 -47.71 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.9 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.55 -41.27 80.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.703 0.287 . . . . 1.0 110.706 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -61.82 -41.7 98.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.125 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.57 -40.69 92.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.23 -47.39 92.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -49.77 -18.89 0.54 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -66.74 -33.88 76.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.564 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 69.6 m -85.92 32.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.751 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.53 97.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 253' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' B' ' 254' ' ' ALA . 19.1 m -62.86 -44.99 94.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.537 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 254' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' B' ' 255' ' ' ARG . . . 64.24 161.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.44 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' B' ' 254' ' ' ALA . 99.5 mtt180 58.07 133.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.715 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 9.2 p -80.18 171.64 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.543 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 257' ' ' SER . . . . . 0.408 ' O ' ' O ' ' B' ' 258' ' ' VAL . 31.0 t -49.1 176.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.356 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 258' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' B' ' 257' ' ' SER . 19.0 t 60.87 135.98 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.272 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.29 136.6 31.42 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.544 2.163 . . . . 1.0 112.316 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -97.08 -44.41 2.82 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 19.6 tt -137.24 138.25 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.858 0.361 . . . . 1.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 262' ' ' TRP . . . . . 0.486 ' O ' ' CD2' ' B' ' 262' ' ' TRP . 67.9 p-90 -75.92 120.68 21.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -164.18 147.38 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 166.72 45.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 50.1 m -90.11 132.49 35.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.795 0.331 . . . . 1.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -88.14 -10.14 50.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.435 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 267' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 267' ' ' GLU . 1.9 tm-20 69.33 67.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.649 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -78.82 121.49 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.569 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -150.53 120.27 1.1 Allowed Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.47 119.56 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.921 0.391 . . . . 1.0 110.283 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -71.68 -37.15 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.595 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -141.16 127.38 19.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.453 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -87.31 142.52 27.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 48.4 ptt85 -144.04 134.6 24.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 1.0 110.588 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -148.52 -87.97 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 65.1 mt -99.54 46.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.5 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -74.68 83.19 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.618 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.57 -38.28 77.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.53 128.15 50.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.998 0.428 . . . . 1.0 110.504 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 87.1 m95 . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.447 -179.873 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.884 0.373 . . . . 1.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.11 -177.35 47.56 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.497 -1.041 . . . . 1.0 110.497 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -144.86 144.5 31.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 1.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -134.11 151.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.17 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.604 ' O ' HD22 ' A' ' 14' ' ' LEU . 13.4 mt -92.56 145.65 24.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 13' ' ' LEU . 1.5 mm? -126.46 132.9 51.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.141 -0.936 . . . . 1.0 111.0 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -107.58 111.54 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.49 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.7 mt -133.2 147.38 52.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.559 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -65.72 161.28 21.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.268 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.16 -38.93 90.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.51 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 46.0 mp0 -56.84 -34.94 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.505 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.94 -43.21 85.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.44 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -53.86 -36.8 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.746 -0.464 . . . . 1.0 109.746 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.45 -40.11 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.98 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -63.6 -47.93 79.43 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.015 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.36 -42.29 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.79 -45.96 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.393 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -58.44 -42.95 88.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 1.0 110.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.429 ' CD1' ' CD2' ' B' ' 247' ' ' LEU . 6.8 mt -67.75 -33.9 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.665 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 32' ' ' ASN . 37.7 mt-10 -69.71 -36.08 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.745 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.3 -51.29 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.884 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' NE2' HD23 ' A' ' 27' ' ' LEU . 17.1 pt20 -62.37 -39.72 94.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.475 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 mmt-85 -85.89 -16.94 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.633 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 28' ' ' GLU . 65.8 m-20 55.49 39.83 31.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.224 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -136.07 153.71 76.99 Favored Pre-proline 0 N--CA 1.464 0.259 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.981 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.54 153.79 72.75 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.622 2.215 . . . . 1.0 112.008 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 33.9 ptt180 -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.19 -41.28 26.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.244 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.82 -38.52 89.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.586 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.65 -41.75 75.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.669 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -55.46 -43.79 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.207 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.98 -36.64 83.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.65 80.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.32 -54.54 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.369 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -50.14 -43.94 52.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.953 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.47 -38.62 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.693 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -62.67 -46.68 87.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.71 -41.91 98.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--N 1.324 -0.535 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.158 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.6 mtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 1.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -67.02 142.16 41.02 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.556 -1.018 . . . . 1.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -94.64 135.19 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 1.0 110.688 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' LEU . 89.8 mt -133.35 134.61 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.278 0.561 . . . . 1.0 110.059 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.68 135.66 33.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.6 tp -119.07 127.12 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.499 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -100.28 121.72 41.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 58.3 mt -120.67 -164.82 1.14 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . 0.683 ' O ' ' N ' ' B' ' 219' ' ' GLU . 2.9 m -121.97 92.6 3.77 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 119.553 -0.859 . . . . 1.0 110.48 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 217' ' ' SER . 8.7 m120 21.88 -74.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 O-C-N 125.173 1.546 . . . . 1.0 112.388 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . 0.683 ' N ' ' O ' ' B' ' 217' ' ' SER . 96.8 mt-10 -50.06 -20.04 0.88 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.487 -1.688 . . . . 1.0 109.761 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 217' ' ' SER . 76.4 t -72.53 -43.66 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.278 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.92 -34.65 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.81 -45.33 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.372 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -55.18 -46.52 75.82 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.837 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.12 -38.14 87.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.356 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . 0.41 ' O ' HG23 ' B' ' 229' ' ' VAL . 28.3 t70 -58.27 -43.47 87.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -60.71 -41.72 95.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.894 0.378 . . . . 1.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -69.69 -40.73 76.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.512 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . 0.53 ' O ' ' ND2' ' B' ' 232' ' ' ASN . 74.5 t -71.95 -51.88 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.859 -0.61 . . . . 1.0 111.153 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.58 -42.94 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.569 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -79.44 -22.32 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.969 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' B' ' 229' ' ' VAL . 19.4 m120 61.02 61.53 1.59 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.592 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -154.52 160.31 31.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.384 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.46 139.25 88.6 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.388 2.058 . . . . 1.0 111.943 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' B' ' 236' ' ' ALA . 20.6 ptp180 -63.32 -41.13 98.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.363 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' B' ' 235' ' ' ARG . . . -48.32 -39.48 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.12 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -66.17 -40.86 90.79 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.605 HD23 ' OE1' ' B' ' 241' ' ' GLU . 21.2 mt -63.31 -41.14 98.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 1.0 110.258 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . 0.598 HD13 HD21 ' A' ' 14' ' ' LEU . 92.4 mt -67.34 -45.96 74.86 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.629 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -52.89 -50.81 63.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.61 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . 0.605 ' OE1' HD23 ' B' ' 238' ' ' LEU . 3.9 pt-20 -65.66 -31.88 73.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.299 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.17 70.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.175 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.8 -51.22 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.187 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -52.79 -48.01 67.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.62 -41.33 81.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.924 0.393 . . . . 1.0 110.244 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.19 -43.66 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . 0.429 ' CD2' ' CD1' ' A' ' 27' ' ' LEU . 92.0 mt -62.14 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.801 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.84 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.291 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' B' ' 249' ' ' ASN . 59.0 t-20 . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 1.0 110.311 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.1 mtp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.763 0.316 . . . . 1.0 110.544 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.84 -177.65 22.96 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -146.1 121.09 10.03 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.086 0.47 . . . . 1.0 110.328 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.4 146.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.6 mp -98.09 122.71 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 1.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.48 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.68 ' O ' HD22 ' A' ' 16' ' ' LEU . 91.5 m-20 -105.45 112.51 25.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.652 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -131.58 144.81 51.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.824 179.481 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 m -58.01 149.47 23.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.52 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -60.56 -37.48 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.552 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -55.95 -32.31 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 16' ' ' LEU . 77.5 t -72.29 -41.83 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -52.98 -38.79 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 109.827 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.08 -40.31 94.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.93 -46.64 80.8 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.069 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.07 -41.11 97.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.486 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.11 -50.23 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.486 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -58.92 -44.92 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.457 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.01 -34.27 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.793 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.81 -39.48 83.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.934 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -44.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.008 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -75.55 -16.79 60.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.797 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.4 m120 55.66 33.48 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.347 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -127.51 158.12 70.82 Favored Pre-proline 0 C--O 1.224 -0.255 0 CA-C-O 121.0 0.428 . . . . 1.0 109.922 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.79 142.03 96.53 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.835 2.357 . . . . 1.0 112.911 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.8 -42.66 98.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.506 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.92 18.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.91 -38.09 87.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.65 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 33' ' ' LEU . 10.9 mt -66.07 -43.05 88.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.81 -45.67 88.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.556 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -59.25 -43.65 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.68 -42.34 98.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.767 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.86 82.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.0 t -71.25 -52.44 26.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.6 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -53.54 -46.03 70.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -55.05 -42.04 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -64.07 -41.48 97.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.411 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.49 -38.12 88.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.794 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.897 -179.068 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.1 mtp . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 120.863 0.363 . . . . 1.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -121.53 176.77 16.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -135.74 127.31 28.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.956 0.408 . . . . 1.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 77.7 mt -134.12 147.44 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.487 ' N ' HD12 ' B' ' 213' ' ' LEU . 11.2 mp -100.71 133.09 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 1.0 110.347 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.735 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -133.15 140.49 47.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.563 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.735 ' H ' HD23 ' B' ' 214' ' ' LEU . 41.1 p-10 -117.19 120.13 37.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.627 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 66.4 mt -123.73 148.26 46.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.66 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.6 m -59.36 150.93 24.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.457 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -61.41 -37.96 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.531 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -56.89 -35.45 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.635 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.02 -43.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.5 mt -55.14 -38.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.65 -37.88 87.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.366 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.6 -47.36 75.97 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.973 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.44 88.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.555 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -54.43 -45.23 72.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.594 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.64 -46.66 88.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . 0.45 ' N ' HD12 ' B' ' 227' ' ' LEU . 11.1 mp -67.49 -29.21 68.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.976 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' B' ' 232' ' ' ASN . 25.9 tt0 -68.98 -42.68 76.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.113 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 76.3 t -65.9 -42.47 92.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.021 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -56.82 -47.41 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.875 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -86.15 -23.59 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.668 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' B' ' 228' ' ' GLU . 64.6 t30 61.83 60.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.549 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -146.05 158.65 48.15 Favored Pre-proline 0 C--O 1.223 -0.324 0 CA-C-O 121.148 0.499 . . . . 1.0 110.582 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.94 141.72 97.07 Favored 'Trans proline' 0 C--N 1.3 -2.024 0 C-N-CA 122.74 2.293 . . . . 1.0 112.193 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -60.92 -42.1 97.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.47 -37.24 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.467 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.72 -39.14 80.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.574 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 238' ' ' LEU . 83.6 mt -63.83 -41.79 97.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.599 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 239' ' ' LEU . 91.3 mt -62.39 -43.23 99.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.67 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.44 -42.76 96.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.196 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.11 -45.81 91.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.706 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.96 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.556 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.33 -51.92 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.635 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -53.94 -49.33 68.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.209 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -55.58 -41.03 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -63.97 -43.73 94.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.55 -33.66 74.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.46 -43.5 96.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.572 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.25 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.3 mtp . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.766 0.317 . . . . 1.0 110.422 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.98 173.53 16.77 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' HD2' HD12 ' B' ' 213' ' ' LEU . 58.9 ttp180 -147.84 137.62 22.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 1.0 110.517 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.569 HD12 ' CD1' ' B' ' 216' ' ' LEU . 55.1 mt -138.52 149.61 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.11 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 14' ' ' LEU . 1.2 tt -93.46 120.1 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 1.0 109.823 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.618 ' N ' HD23 ' A' ' 13' ' ' LEU . 42.5 tp -114.12 130.47 56.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 15' ' ' ASP . 45.9 p-10 -115.26 128.13 55.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.433 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.71 144.89 50.6 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.646 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -66.04 160.3 24.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.374 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -60.86 -37.46 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.369 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -60.26 -36.33 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.535 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.62 -43.32 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.4 mt -54.05 -38.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -64.58 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.123 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.97 -48.96 69.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.73 -40.85 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.554 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -55.8 -43.42 76.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.62 -41.93 95.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 1.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.87 -32.74 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 39.4 mt-10 -69.92 -39.93 75.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.693 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.48 -50.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.739 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -52.54 -48.9 65.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.443 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -89.12 -12.6 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 28' ' ' GLU . 40.3 m-80 58.99 30.84 20.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.442 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.29 157.42 41.15 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.406 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.47 156.27 61.84 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.627 2.218 . . . . 1.0 111.714 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 30.1 ptt180 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.498 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.454 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.02 -40.96 24.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.183 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -65.77 -38.89 90.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.126 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.32 -40.98 94.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.586 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.59 -46.61 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.636 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -60.22 -43.75 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.378 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.08 -42.86 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.54 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.11 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.113 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -68.33 -51.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.1 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -53.74 -48.17 69.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.11 -40.18 92.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.391 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.99 -41.57 96.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.059 -179.612 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.3 mtp . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.795 0.331 . . . . 1.0 110.415 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -68.01 140.19 35.72 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.687 -0.965 . . . . 1.0 110.687 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -97.04 134.16 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 1.0 110.443 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 6.8 mm -132.75 139.82 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.559 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.599 HD22 ' N ' ' B' ' 213' ' ' LEU . 4.0 mm? -90.52 128.46 36.56 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.352 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 44.1 tp -112.73 127.01 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 47.7 p-10 -99.91 132.69 45.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.463 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.569 ' CD1' HD12 ' A' ' 12' ' ' ILE . 13.6 mt -134.78 -166.11 1.77 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.512 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 153.36 51.59 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -56.09 -39.42 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.34 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.88 -39.42 94.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.788 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 1.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.4 mt -53.02 -39.1 31.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.938 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.28 -39.57 92.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.16 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.02 -49.05 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.054 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . 0.438 ' O ' ' CD ' ' B' ' 228' ' ' GLU . 61.2 mt -60.93 -42.82 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.709 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -50.87 -42.76 59.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.271 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.17 -42.34 90.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 1.0 110.04 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . 0.404 ' N ' HD12 ' B' ' 227' ' ' LEU . 7.9 mp -67.17 -34.59 77.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.396 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' B' ' 232' ' ' ASN . 1.3 mp0 -68.38 -36.05 78.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.929 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.81 -51.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.606 -0.438 . . . . 1.0 111.147 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . 0.405 ' H ' ' HG2' ' B' ' 230' ' ' GLN . 6.9 pt20 -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.507 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -85.28 -17.93 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.723 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' B' ' 228' ' ' GLU . 55.7 t-20 51.69 45.87 27.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.199 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.0 mt -138.79 153.2 71.85 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.895 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 153.04 76.66 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.614 2.209 . . . . 1.0 111.985 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.468 ' NH1' HD11 ' A' ' 12' ' ' ILE . 89.7 mtm180 -61.97 -44.94 95.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.542 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.16 -42.73 20.2 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.249 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.63 -39.79 91.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 1.0 110.488 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.472 ' CD1' ' OE1' ' B' ' 228' ' ' GLU . 56.8 mt -67.49 -40.64 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.93 -45.77 93.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.54 -43.06 79.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.079 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 245' ' ' GLN . 95.8 mt-10 -67.53 -37.41 82.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.605 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.61 74.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.81 -52.59 52.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.413 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.8 -50.04 57.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.948 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' B' ' 241' ' ' GLU . 1.2 mp0 -60.57 -41.27 94.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.178 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.1 -46.08 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.468 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.538 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.82 -46.53 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.279 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 1.0 110.353 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.6 mtp . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 121.034 0.445 . . . . 1.0 110.493 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.52 139.08 10.34 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -97.68 138.34 35.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.842 0.353 . . . . 1.0 110.417 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -130.79 146.5 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 13' ' ' LEU . 11.2 mp -102.04 126.37 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.386 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 14' ' ' LEU . 42.6 tp -124.09 134.64 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.566 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 16' ' ' LEU . 45.9 p-10 -96.08 122.47 38.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.2 mm? -109.33 -173.26 2.22 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.69 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -128.72 145.37 51.19 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -53.26 -38.49 63.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.38 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -67.26 -41.24 85.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.547 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.0 -44.31 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.649 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.8 mt -52.89 -38.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.23 -38.74 91.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 1.0 110.417 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.22 -48.22 71.3 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.187 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.55 -42.73 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.8 t0 -56.82 -46.2 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.481 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.07 -47.58 85.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.65 -30.61 67.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.809 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 78.0 tt0 -70.53 -41.09 73.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.411 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 25' ' ' ASP . 65.0 t -65.11 -43.29 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.604 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.73 -40.31 92.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.712 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 58.45 38.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.52 153.83 72.88 Favored Pre-proline 0 C--O 1.226 -0.182 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.717 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.79 146.05 96.83 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.65 2.233 . . . . 1.0 112.071 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.562 HH22 HD12 ' B' ' 212' ' ' ILE . 59.9 ttp180 -60.33 -43.55 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.66 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.62 -40.32 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.396 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -66.4 -39.2 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.498 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.14 -41.36 94.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.843 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.51 -44.32 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.725 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.68 -42.64 97.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.434 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.97 -37.91 87.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.496 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.99 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.55 -52.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.22 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -53.51 -48.97 68.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.1 -40.07 92.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.497 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.415 ' OH ' ' NH2' ' B' ' 231' ' ' ARG . 89.5 t80 -61.42 -42.34 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.7 -42.92 94.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 1.0 110.173 179.602 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 81.9 mmm . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.854 0.359 . . . . 1.0 110.309 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -71.13 -176.17 22.83 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -126.91 123.04 36.29 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.666 0.269 . . . . 1.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.562 HD12 HH22 ' A' ' 35' ' ' ARG . 43.4 mm -117.68 151.1 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.67 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 6.6 tp -107.52 124.46 49.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.7 tp -117.69 131.95 56.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -112.13 123.18 49.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.612 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 57.0 mt -133.85 145.42 49.67 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.754 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.1 m -58.32 152.87 16.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.477 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -60.46 -29.33 68.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.07 -36.87 84.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.88 -42.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.504 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.6 mt -54.64 -37.62 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.975 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -65.6 -36.62 84.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.152 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -66.52 -47.14 73.86 Favored 'General case' 0 CA--C 1.527 0.059 0 CA-C-O 121.145 0.497 . . . . 1.0 109.919 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.19 -41.72 94.3 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.625 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . 0.406 ' CG ' HH21 ' B' ' 235' ' ' ARG . 67.9 t0 -59.06 -46.29 88.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.532 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -61.63 -40.42 94.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.461 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.73 -27.46 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.741 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.22 -42.35 75.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.903 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.72 -43.84 95.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.466 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.73 -40.15 94.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.668 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.711 HH11 HD22 ' B' ' 238' ' ' LEU . 99.6 mtt180 -82.46 -20.77 36.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 36.2 m120 55.69 40.5 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.8 mt -132.89 152.9 80.66 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.936 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.89 142.15 93.08 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.662 2.241 . . . . 1.0 112.308 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.406 HH21 ' CG ' ' B' ' 225' ' ' ASP . 84.2 mtt85 -61.65 -41.96 98.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.654 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -49.44 -41.55 40.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.392 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . 0.417 ' O ' ' OD2' ' B' ' 237' ' ' ASP . 65.4 t0 -68.06 -39.2 83.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.552 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.711 HD22 HH11 ' B' ' 231' ' ' ARG . 88.7 mt -65.36 -42.98 92.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.453 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.12 -41.84 99.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.66 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . 0.487 HH21 ' CG ' ' A' ' 15' ' ' ASP . 43.9 ttm180 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 -37.93 78.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.548 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.63 97.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.124 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.2 -54.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.23 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -52.26 -47.57 65.72 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.162 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -63.81 -40.81 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.788 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -59.68 -43.78 93.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.64 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.84 -39.7 92.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.003 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.76 -45.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 1.0 110.469 179.62 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.7 mtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.815 0.341 . . . . 1.0 110.523 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 142.86 48.44 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.4 HH11 HD12 ' B' ' 213' ' ' LEU . 64.0 ttm-85 -99.87 117.81 34.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.041 0.448 . . . . 1.0 110.14 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -115.75 140.14 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-O 121.065 0.459 . . . . 1.0 110.594 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 13' ' ' LEU . 11.3 mp -98.64 125.89 44.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.032 0.444 . . . . 1.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -124.87 137.01 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.347 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 30.9 p-10 -125.99 136.07 52.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp -135.71 154.64 51.2 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -60.06 149.45 32.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.361 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -56.26 -39.62 72.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.383 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.65 -37.3 75.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.581 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.2 -43.95 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.575 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.28 -38.62 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.592 -0.521 . . . . 1.0 109.592 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.14 -37.48 87.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.477 ' O ' HD13 ' A' ' 27' ' ' LEU . 86.1 mt-30 -66.55 -46.95 74.42 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.73 -41.73 99.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.66 -47.66 84.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.94 -44.84 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 23' ' ' GLN . 6.7 mp -69.31 -30.95 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.863 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -67.55 -42.21 83.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.64 -43.34 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.626 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.95 -43.24 96.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.965 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HB2' HD11 ' A' ' 33' ' ' LEU . 30.9 mmt180 -69.35 -37.15 77.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' ARG . 2.7 m120 75.19 51.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -156.2 158.0 31.39 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.18 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 145.84 93.46 Favored 'Trans proline' 0 C--N 1.299 -2.061 0 C-N-CA 122.51 2.14 . . . . 1.0 112.295 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 35.1 ptt180 -61.18 -41.71 97.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.419 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.24 -40.21 33.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.164 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.68 -38.04 89.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.287 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.98 -41.88 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.017 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.82 -45.23 90.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.877 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.32 -43.01 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.34 -42.97 95.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.814 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.69 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.498 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -69.16 -52.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.577 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -55.77 -48.17 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 1.0 109.937 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -56.04 -40.94 74.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.729 0.3 . . . . 1.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.62 -39.09 90.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.721 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.74 -40.11 91.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.321 -179.574 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 73.0 mtp . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.991 0.424 . . . . 1.0 110.492 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -107.57 -165.34 21.77 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -155.04 124.33 6.34 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.029 0.442 . . . . 1.0 110.369 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.437 ' C ' HD22 ' B' ' 213' ' ' LEU . 57.5 mt -138.03 145.8 28.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.077 0.465 . . . . 1.0 110.505 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.5 HD22 ' N ' ' B' ' 213' ' ' LEU . 4.1 mm? -98.83 118.48 35.66 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.963 0.411 . . . . 1.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 214' ' ' LEU . 34.8 tp -114.25 130.01 56.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.494 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -105.79 122.04 45.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.917 0.389 . . . . 1.0 110.705 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.7 mt -130.73 137.43 49.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 6.1 m -58.44 158.03 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -61.31 -38.63 87.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.66 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -59.01 -39.13 80.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.769 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.7 -44.41 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.12 -36.45 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.787 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.77 -36.81 84.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.33 -48.49 67.39 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.92 -42.31 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -57.66 -43.01 84.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.734 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.65 -41.32 94.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.55 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 49.4 mt -73.08 -29.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.839 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.43 -46.29 73.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 94.5 t -68.26 -42.41 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.08 -32.14 6.42 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 14.9 mmm180 -102.99 -88.93 0.39 Allowed 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.404 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 231' ' ' ARG . 6.5 m-20 165.8 19.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 56.0 mt -127.31 147.59 62.73 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.79 0.329 . . . . 1.0 110.981 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.85 170.5 18.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.817 2.345 . . . . 1.0 111.83 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' B' ' 236' ' ' ALA . 34.5 ptt-85 -63.98 -42.24 97.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.336 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' B' ' 235' ' ' ARG . . . -48.09 -38.98 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.182 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -72.51 -40.3 66.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.933 0.397 . . . . 1.0 110.782 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -37.19 81.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.371 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' B' ' 239' ' ' LEU . 85.3 mt -61.06 -41.86 97.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.61 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.91 -43.6 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.27 -42.0 76.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.26 86.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.985 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.17 -51.57 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.828 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.65 -46.43 70.55 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -63.76 -40.1 95.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.388 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.36 -42.86 99.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 247' ' ' LEU . 94.6 mt -59.92 -43.71 94.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.304 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.18 -44.57 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 110.018 -0.364 . . . . 1.0 110.018 179.56 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' B' ' 216' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.225 -0.194 0 CA-C-O 121.218 0.532 . . . . 1.0 110.7 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -46.35 -24.3 1.55 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' GLY . 67.2 ttp85 59.28 121.71 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.942 0.401 . . . . 1.0 110.301 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 13' ' ' LEU . 91.0 mt -129.67 155.87 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.017 0.437 . . . . 1.0 110.395 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' O ' HD22 ' A' ' 14' ' ' LEU . 12.0 mt -102.63 129.06 49.09 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.251 0.548 . . . . 1.0 110.643 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.507 HD22 ' O ' ' A' ' 13' ' ' LEU . 3.7 mm? -117.36 133.5 55.9 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.941 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -111.89 128.71 56.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.614 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.48 143.15 48.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.797 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -62.29 151.85 35.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.657 HD22 ' N ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -58.23 -24.53 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.452 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.657 ' N ' HD22 ' A' ' 18' ' ' ASN . 80.3 mm-40 -71.34 -39.91 71.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.671 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.61 -42.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.708 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.3 mt -56.52 -39.67 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -64.45 -35.39 80.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.361 -0.381 . . . . 1.0 109.999 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.14 -45.95 68.81 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.009 0.433 . . . . 1.0 109.85 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.4 -42.92 98.81 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 29' ' ' VAL . 66.4 t0 -57.11 -48.7 77.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.684 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.69 -47.56 85.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.82 -32.41 73.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.723 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -65.62 -38.9 90.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.878 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 25' ' ' ASP . 71.0 t -62.21 -42.09 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.773 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.544 ' C ' ' HE ' ' A' ' 31' ' ' ARG . 98.1 mt-30 -64.82 -44.29 90.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.026 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.717 ' HE ' ' N ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -74.16 -24.91 59.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.781 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 57.08 46.22 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 1.0 110.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -140.52 160.92 57.42 Favored Pre-proline 0 C--O 1.219 -0.515 0 CA-C-O 121.118 0.485 . . . . 1.0 109.98 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 142.55 97.87 Favored 'Trans proline' 0 C--N 1.299 -2.065 0 C-N-CA 122.86 2.373 . . . . 1.0 113.26 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -61.06 -41.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.518 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.08 -38.35 24.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.445 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.51 -38.47 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.652 ' HG ' HD21 ' A' ' 33' ' ' LEU . 39.7 mt -65.7 -44.59 85.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.873 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.59 -44.42 90.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.804 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.06 -44.11 82.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.188 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.12 -39.62 94.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.532 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.94 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.263 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.08 -52.49 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -52.56 -44.56 65.94 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -62.39 -39.85 94.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.297 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -62.21 -41.79 98.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 1.0 110.198 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.73 -41.95 99.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.246 -179.633 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.8 mmm . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.781 0.324 . . . . 1.0 110.341 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -117.4 -176.44 17.43 Favored Glycine 0 N--CA 1.465 0.598 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -141.33 127.12 19.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.069 0.461 . . . . 1.0 110.533 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 93.9 mt -135.59 140.26 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.549 HD12 ' N ' ' B' ' 213' ' ' LEU . 9.7 mp -98.87 130.29 45.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.298 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.717 HD13 ' N ' ' B' ' 215' ' ' ASP . 0.2 OUTLIER -123.36 135.16 54.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.092 179.449 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.717 ' N ' HD13 ' B' ' 214' ' ' LEU . 4.3 m-20 -95.49 119.62 34.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.675 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 9' ' ' MET . 3.5 mm? -109.13 -169.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.898 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.2 t -130.63 149.58 52.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -56.76 -38.52 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.347 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.9 -41.95 90.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.0 t -69.31 -45.01 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.604 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 89.9 mt -53.19 -35.17 22.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.269 -0.423 . . . . 1.0 109.877 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -66.31 -39.01 89.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.024 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.25 -46.87 78.8 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.994 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 89.6 mt -63.76 -42.27 97.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.668 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -57.33 -46.97 82.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -61.47 -45.93 92.19 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.433 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.91 -34.1 77.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.819 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' B' ' 228' ' ' GLU . 0.0 OUTLIER -65.61 -41.76 92.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.746 -179.442 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.14 -33.59 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.935 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.48 -37.01 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.31 0.381 . . . . 1.0 110.104 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 57.3 mtm180 -105.35 -88.49 0.44 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.677 -0.409 . . . . 1.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.551 ' C ' HD12 ' B' ' 233' ' ' LEU . 22.9 t30 168.22 18.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.601 0.563 . . . . 1.0 110.386 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.551 HD12 ' C ' ' B' ' 232' ' ' ASN . 11.3 mp -111.27 151.22 43.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.774 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.35 159.39 49.52 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.641 2.227 . . . . 1.0 111.94 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.5 ptt180 -64.98 -44.54 89.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.712 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.98 -39.19 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.249 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.88 -39.22 76.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.963 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.466 HD21 HH21 ' B' ' 231' ' ' ARG . 21.0 mt -68.3 -39.29 82.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.654 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.09 -42.71 99.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.488 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 -60.95 -41.41 96.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.279 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.05 -37.94 89.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.686 0.279 . . . . 1.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.49 98.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.204 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.22 -52.36 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.157 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -53.65 -48.97 68.9 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.57 -40.59 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.433 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -60.92 -42.8 98.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.87 -40.39 88.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.944 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.54 -44.69 99.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 123.36 0.413 . . . . 1.0 110.112 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 109.97 -0.382 . . . . 1.0 109.97 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.679 0.276 . . . . 1.0 110.366 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.59 128.28 7.75 Favored Glycine 0 N--CA 1.466 0.665 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.59 139.64 38.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 1.0 110.763 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 13' ' ' LEU . 96.5 mt -139.71 155.51 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.425 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.443 ' N ' HG22 ' A' ' 12' ' ' ILE . 33.3 tp -119.34 125.49 49.17 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.8 tp -121.51 131.12 53.96 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.544 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -108.38 117.27 33.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.708 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' O ' ' A' ' 17' ' ' SER . 60.1 mt -132.01 145.02 51.19 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.745 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 16' ' ' LEU . 75.7 m -55.45 -158.59 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -110.96 -27.84 8.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.673 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -67.76 -29.71 68.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.288 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.35 -43.61 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.38 -36.57 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -66.35 -37.91 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.218 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -65.43 -48.61 72.17 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.98 -39.42 85.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.7 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 29' ' ' VAL . 22.8 t70 -55.82 -42.12 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.554 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.0 -43.15 99.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.4 mp -75.98 -29.27 58.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.653 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' ASN . 15.6 tm-20 -75.48 -40.22 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.835 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 25' ' ' ASP . 42.3 t -62.18 -50.91 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.648 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -58.32 -44.41 88.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.29 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.516 ' NH1' ' OH ' ' B' ' 246' ' ' TYR . 90.1 mtt180 -72.64 -34.47 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.975 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLU . 13.0 t-20 63.48 52.13 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 15.9 mt -139.61 154.4 71.23 Favored Pre-proline 0 C--O 1.222 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.3 145.46 93.33 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.647 2.231 . . . . 1.0 112.273 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -60.77 -47.56 85.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.829 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.94 -42.06 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.391 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -64.79 -38.72 91.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.821 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.55 -40.55 89.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.799 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.84 -47.69 82.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.868 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.8 ttm-85 -60.45 -42.52 96.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.4 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -68.46 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.16 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.405 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.59 -53.72 32.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -50.58 -45.23 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.048 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -56.57 -40.78 75.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.39 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.27 -42.69 99.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.26 -39.26 86.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.666 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.12 -179.386 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 43.7 mmm . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.871 0.367 . . . . 1.0 110.304 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -100.97 -14.58 30.9 Favored Glycine 0 N--CA 1.463 0.449 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' B' ' 210' ' ' GLY . 71.7 ttt180 56.26 126.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.152 0.501 . . . . 1.0 110.472 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.402 ' C ' HD12 ' B' ' 213' ' ' LEU . 18.4 mt -141.01 142.06 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.46 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.546 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.3 mp -96.8 136.35 37.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.306 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 54.6 tp -133.0 138.15 46.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.609 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 215' ' ' ASP . 42.5 p-10 -123.45 122.36 38.04 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.655 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.46 153.52 43.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.8 m -65.75 158.51 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.99 -39.56 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.584 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . 0.554 ' O ' ' NE2' ' B' ' 223' ' ' GLN . 59.1 mp0 -58.39 -36.7 73.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.619 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.85 -41.91 91.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 1.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 66.8 mt -54.1 -36.27 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.186 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.54 -46.76 81.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.1 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' B' ' 219' ' ' GLU . 1.1 mp0 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 110.204 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.44 -39.59 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . 0.405 ' O ' HG23 ' B' ' 229' ' ' VAL . 56.7 t0 -56.41 -44.37 80.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.13 -41.88 93.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.443 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.49 -32.25 66.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.708 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -71.13 -40.89 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.561 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 78.5 t -66.25 -51.4 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.933 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -55.23 -43.72 74.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.706 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.624 ' HB3' HD22 ' B' ' 233' ' ' LEU . 10.4 mpt_? -78.81 -18.63 53.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.731 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 56.9 m-80 55.43 36.63 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.856 0.36 . . . . 1.0 110.541 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.833 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -132.11 159.86 70.33 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.027 0.442 . . . . 1.0 110.018 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.04 140.45 95.32 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.839 2.359 . . . . 1.0 112.608 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.3 ptp180 -59.71 -43.53 94.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -47.86 -38.96 17.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.218 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . 0.406 ' O ' ' OD2' ' B' ' 237' ' ' ASP . 63.8 t0 -66.63 -39.35 88.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.889 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.697 ' HG ' HD21 ' B' ' 233' ' ' LEU . 34.1 mt -64.48 -40.54 95.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.81 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.87 -44.68 96.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -57.52 -44.41 85.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.259 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.47 -39.96 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.656 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.77 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.379 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.13 -53.76 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.366 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -50.9 -49.32 59.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -59.2 -41.79 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.552 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . 0.516 ' OH ' ' NH1' ' A' ' 31' ' ' ARG . 66.7 t80 -63.02 -45.54 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.38 -42.29 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.912 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.96 -45.59 98.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.386 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 1.0 110.524 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.9 mtp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.837 0.351 . . . . 1.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -91.95 -26.06 20.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.519 -0.632 . . . . 1.0 111.519 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 71.8 ttt180 56.29 125.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.333 0.587 . . . . 1.0 110.179 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.9 mt -143.3 147.69 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.499 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.9 mp -97.73 133.79 41.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.06 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.408 HD13 HD13 ' B' ' 239' ' ' LEU . 40.3 tp -113.96 122.48 47.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -103.16 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.677 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' B' ' 209' ' ' MET . 13.5 mt -98.57 -171.67 2.17 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.628 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.6 OUTLIER -105.22 4.42 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.641 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' B' ' 210' ' ' GLY . 2.0 m-20 76.79 -41.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.26 0.35 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.01 -25.32 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.125 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.2 t -76.62 -31.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.292 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.68 -41.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -65.29 -35.61 81.53 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -48.42 71.33 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.11 -32.95 74.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.569 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.23 -40.63 86.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -63.91 -38.43 91.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.454 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 27' ' ' LEU . 8.7 mp -76.39 -28.96 56.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.872 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.65 -39.31 88.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.562 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.7 -49.51 79.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.807 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -57.64 -44.39 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.28 -22.84 54.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 56.41 42.01 28.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.64 153.14 72.08 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -56.44 142.51 89.07 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.716 2.277 . . . . 1.0 112.277 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.403 ' NH2' HD13 ' B' ' 212' ' ' ILE . 54.1 ttp180 -58.58 -48.04 82.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.711 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.75 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.541 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -65.12 -38.01 89.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.876 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.75 -39.95 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.829 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -47.07 86.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.466 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.87 -43.76 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.22 -41.53 85.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.378 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -67.32 -52.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -53.22 -48.73 67.91 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.24 -39.02 93.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.822 0.344 . . . . 1.0 110.488 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -58.9 -40.42 84.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.43 -42.81 96.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.9 mm . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.604 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 34.8 mmm . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.905 0.383 . . . . 1.0 110.249 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' A' ' 18' ' ' ASN . . . -106.04 -24.45 6.9 Favored Glycine 0 N--CA 1.465 0.572 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 73.4 ttt180 57.26 122.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.994 0.426 . . . . 1.0 110.48 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.434 HD12 HD12 ' A' ' 16' ' ' LEU . 30.6 mt -142.44 148.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.528 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.524 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.0 mp -92.28 144.64 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.278 0.561 . . . . 1.0 110.394 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.611 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -142.43 144.69 33.18 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.65 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.611 ' H ' HD23 ' B' ' 214' ' ' LEU . 3.4 m-20 -101.86 106.85 17.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.623 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.562 HD22 ' O ' ' B' ' 215' ' ' ASP . 3.9 mm? -119.87 137.35 54.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.027 178.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 12.4 m -66.28 156.2 35.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.424 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -69.42 -24.45 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.657 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.33 -35.81 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.594 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.09 -42.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.353 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.2 -38.65 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -63.89 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -67.89 -48.46 65.98 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.951 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.26 -39.61 91.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.485 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -51.01 -41.14 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -61.79 -40.94 96.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 1.0 110.497 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . 0.48 ' N ' HD12 ' B' ' 227' ' ' LEU . 9.8 mp -69.42 -28.31 66.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.522 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 7.4 tm-20 -68.58 -42.53 78.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.197 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . 0.447 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 83.0 t -74.87 -42.5 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.68 -47.08 85.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.112 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -91.05 -10.38 42.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.924 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 94.1 m-20 51.56 48.92 21.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.686 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.463 ' O ' ' OE2' ' B' ' 228' ' ' GLU . 17.7 mt -139.0 150.65 65.93 Favored Pre-proline 0 C--O 1.217 -0.611 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.575 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.85 150.93 51.62 Favored 'Trans proline' 0 C--N 1.301 -1.931 0 C-N-CA 122.982 2.455 . . . . 1.0 112.851 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.07 -48.76 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.256 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.3 -40.85 8.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.208 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.61 -39.03 91.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.615 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 238' ' ' LEU . 87.3 mt -64.49 -42.73 95.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.76 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 14' ' ' LEU . 96.5 mt -63.63 -47.94 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.505 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -58.35 -44.87 88.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.82 -41.03 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.413 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.32 80.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.164 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.23 -52.06 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -51.63 -48.2 63.41 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -59.44 -40.6 87.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.48 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.07 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.83 -41.68 96.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.619 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.95 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.994 0.426 . . . . 1.0 109.946 179.771 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.6 mtm . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.793 0.33 . . . . 1.0 110.72 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.44 29.56 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -101.81 144.77 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' B' ' 214' ' ' LEU . 52.5 mt -138.22 137.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 1.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.8 mm? -93.42 124.01 37.12 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.074 0.464 . . . . 1.0 110.5 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 13' ' ' LEU . 2.2 mm? -116.89 131.21 57.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.503 ' C ' HD22 ' A' ' 16' ' ' LEU . 96.6 m-20 -102.13 110.59 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.4 mm? -105.44 -165.97 1.17 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.6 -154.39 0.54 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.031 0.443 . . . . 1.0 110.358 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -111.21 -38.58 4.98 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.194 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -28.36 64.66 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.072 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.59 -37.97 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 120.944 0.402 . . . . 1.0 110.244 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.51 -42.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.399 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.76 -38.6 91.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.19 -45.58 80.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.305 -0.407 . . . . 1.0 109.925 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.28 -45.3 92.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.899 0.381 . . . . 1.0 110.799 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.28 -47.5 85.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.52 -45.35 92.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.04 -30.8 70.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.66 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' ASN . 21.3 mt-10 -66.9 -42.29 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.668 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.47 -42.43 96.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.613 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.98 -46.21 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.629 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -80.82 -12.71 59.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.596 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 14.1 m120 56.04 37.95 29.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.1 mt -134.05 150.54 74.61 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.812 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 154.7 72.69 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.719 2.279 . . . . 1.0 112.134 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 9.7 ptp85 -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.495 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.5 -39.3 33.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.107 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -69.75 -39.99 76.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.34 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.9 -41.99 86.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.49 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.71 -44.56 89.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.761 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -57.78 -42.98 85.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.258 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.69 -38.01 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.452 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.16 -44.54 97.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.09 -53.96 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.289 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.35 -44.58 68.62 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.117 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.78 -36.48 84.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.868 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.479 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.22 -46.94 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.463 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 48' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.331 -0.197 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 71.1 mmm . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.968 0.413 . . . . 1.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -116.93 120.86 4.96 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 110.864 -0.895 . . . . 1.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -82.24 136.46 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.06 0.457 . . . . 1.0 110.546 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.521 HG22 ' N ' ' B' ' 213' ' ' LEU . 96.8 mt -137.39 158.66 35.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.379 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.54 HD23 ' N ' ' B' ' 214' ' ' LEU . 1.2 tt -113.54 112.42 23.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.072 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.54 ' N ' HD23 ' B' ' 213' ' ' LEU . 33.6 tp -113.23 131.21 55.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.639 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.436 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 44.7 p-10 -121.15 122.94 41.09 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.453 . . . . 1.0 110.502 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.3 mt -129.58 152.28 49.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.651 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.1 m -55.67 152.25 9.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -61.57 -38.46 87.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.263 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -56.86 -33.9 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.417 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.35 -43.07 81.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.43 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.76 -37.04 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.73 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.9 -38.0 87.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 1.0 109.958 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.01 -48.01 72.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.237 -0.438 . . . . 1.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.94 -41.23 86.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.429 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.5 -41.1 80.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.449 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.43 -46.56 89.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.42 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . 0.403 HD12 ' N ' ' B' ' 227' ' ' LEU . 8.9 mp -66.42 -31.84 72.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.522 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 232' ' ' ASN . 32.3 mt-10 -63.85 -43.63 95.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.23 -43.17 95.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.564 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -65.49 -38.23 89.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.486 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.42 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 6.8 mmp_? -93.78 -3.03 52.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.631 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 228' ' ' GLU . 3.9 p-10 43.6 37.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.503 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.2 mt -133.64 151.65 77.55 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.693 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.76 149.91 89.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.58 2.186 . . . . 1.0 112.205 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.7 ptp180 -60.1 -42.76 95.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.492 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.44 -41.83 30.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.395 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -70.14 -40.24 74.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.548 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.26 -42.03 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.65 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.28 -42.11 99.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.574 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -55.86 -44.97 78.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.283 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -69.19 -37.39 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.06 88.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.385 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.58 -53.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -55.55 -49.45 72.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -54.59 -41.89 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.637 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -63.53 -44.18 95.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 1.0 110.487 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.61 -35.85 80.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.69 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.86 -44.01 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 67.3 t30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.149 179.444 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.1 mtm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.835 0.35 . . . . 1.0 110.408 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -179.94 24.66 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.653 -0.979 . . . . 1.0 110.653 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -130.38 128.58 41.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.834 0.349 . . . . 1.0 110.538 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 mm -127.31 147.37 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.711 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.8 mp -98.76 136.03 39.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.326 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -130.07 136.36 49.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.435 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -120.57 123.93 44.06 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.3 mt -129.34 151.46 49.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -66.59 156.22 35.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.472 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -61.22 -31.57 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.462 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.88 -35.03 77.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.95 -41.76 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.385 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.6 mt -53.96 -41.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.018 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.18 -37.84 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 1.0 110.277 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.01 -48.95 69.47 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.31 -38.69 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 29' ' ' VAL . 47.1 t0 -55.0 -45.94 75.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.552 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -60.51 -44.04 96.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.1 mp -74.48 -28.57 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.93 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASN . 8.3 tm-20 -76.2 -42.13 47.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.82 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 25' ' ' ASP . 57.8 t -66.38 -51.54 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.67 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -52.44 -45.91 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.51 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.594 ' HE ' HD21 ' A' ' 33' ' ' LEU . 72.2 mtp85 -81.73 -32.86 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.756 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' GLU . 55.2 t30 63.19 65.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.898 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.594 HD21 ' HE ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -150.27 159.24 35.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.355 0.598 . . . . 1.0 110.586 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.46 141.69 95.08 Favored 'Trans proline' 0 C--N 1.3 -1.978 0 C-N-CA 122.703 2.268 . . . . 1.0 112.175 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.43 HH11 ' CD1' ' B' ' 212' ' ' ILE . 44.6 ttm180 -61.31 -43.88 98.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.475 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.36 -41.06 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.287 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.46 -39.7 95.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.68 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.97 -43.39 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.66 -47.78 82.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.789 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -57.89 -43.9 86.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.484 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.36 -39.63 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.9 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.307 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.92 -51.62 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.148 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -52.83 -48.05 67.25 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -56.54 -42.28 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.744 0.307 . . . . 1.0 110.479 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -63.69 -43.2 97.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.036 0.446 . . . . 1.0 110.608 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.28 -40.67 97.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.333 -179.434 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 79.5 mtp . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.748 0.309 . . . . 1.0 110.311 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -113.09 179.83 19.2 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -139.47 128.62 23.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 1.0 110.404 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.43 ' CD1' HH11 ' A' ' 35' ' ' ARG . 82.6 mt -135.52 149.32 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.334 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.482 ' N ' HD12 ' B' ' 213' ' ' LEU . 11.2 mp -102.23 128.24 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.986 0.422 . . . . 1.0 110.238 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.67 132.8 54.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.644 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -113.05 128.37 56.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.63 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 64.1 mt -128.54 140.01 52.01 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 9.1 m -66.02 155.49 36.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.367 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -57.94 -38.03 75.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.362 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.76 -41.36 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.537 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.64 -39.62 47.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.77 -37.75 88.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 1.0 110.248 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.38 -48.52 75.14 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 121.032 0.444 . . . . 1.0 109.913 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.5 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.475 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.37 -40.22 85.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -65.52 -38.96 91.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.655 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.99 -29.63 63.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.847 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' B' ' 233' ' ' LEU . 6.0 tm-20 -69.46 -42.08 75.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.959 0.409 . . . . 1.0 110.912 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.61 -48.26 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.838 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.01 -45.92 89.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.698 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -78.14 -26.36 47.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.936 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 66.7 t30 58.92 42.9 18.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 16.0 mt -138.52 153.96 73.0 Favored Pre-proline 0 C--O 1.222 -0.361 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.001 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.82 144.52 99.44 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.764 2.309 . . . . 1.0 112.288 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 30.5 ptt180 -58.62 -45.29 89.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -45.8 -43.19 13.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.116 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.99 -39.74 93.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.406 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.04 -40.64 95.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.727 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.79 -48.03 82.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.41 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -59.18 -43.5 92.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -65.86 -38.35 88.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.12 87.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.59 -53.79 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -49.81 -48.69 50.64 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.02 -41.36 99.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 1.0 110.558 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.29 -47.95 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.491 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.14 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.39 -48.61 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.591 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 51.1 t30 . . . . . 0 CA--C 1.534 0.343 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.514 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mmm . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.928 0.394 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.67 154.97 16.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -123.89 120.11 31.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.996 0.426 . . . . 1.0 110.482 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.4 ' C ' HD12 ' A' ' 13' ' ' LEU . 93.3 mt -137.2 152.76 28.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.565 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.5 mp -99.33 139.59 34.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.739 HD23 ' H ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -134.47 140.85 46.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.539 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.739 ' H ' HD23 ' A' ' 14' ' ' LEU . 46.2 p-10 -119.66 127.28 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.722 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -131.31 148.51 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -59.67 152.32 22.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -62.55 -37.66 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.598 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -56.18 -35.57 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.545 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -68.31 -42.68 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.93 -39.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.24 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.04 -39.38 93.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.14 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -66.32 -48.97 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.193 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.28 -40.19 96.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.295 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -59.66 -42.94 93.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.508 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.399 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.12 -28.69 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -66.01 -41.48 90.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.543 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.2 -43.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.82 -44.32 97.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.851 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -77.89 -11.77 59.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 53.31 34.29 17.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.2 mt -135.04 153.92 78.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.17 145.51 97.51 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 122.733 2.288 . . . . 1.0 112.0 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 36' ' ' ALA . 40.4 ptt180 -61.13 -41.57 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.595 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 35' ' ' ARG . . . -48.95 -42.25 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.289 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -66.2 -40.31 90.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.473 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.726 HD13 HD21 ' B' ' 214' ' ' LEU . 88.7 mt -61.34 -44.4 97.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.554 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.77 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.359 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.74 -50.63 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.332 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -54.54 -48.79 71.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.954 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -57.17 -42.27 80.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.423 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -63.51 -42.01 98.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -42.64 97.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 1.0 109.863 179.355 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 77.4 mtp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.329 . . . . 1.0 110.485 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.92 35.02 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -77.03 130.23 37.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 1.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.44 HG22 ' N ' ' B' ' 213' ' ' LEU . 87.5 mt -134.53 154.94 38.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.493 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.44 ' N ' HG22 ' B' ' 212' ' ' ILE . 0.1 OUTLIER -111.32 128.66 56.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.994 0.426 . . . . 1.0 110.363 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -115.44 131.52 56.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -101.95 111.13 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.4 mt -116.81 130.61 56.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.668 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 1.6 t -63.12 149.05 46.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.439 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -55.57 -38.24 69.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.47 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 66.7 t -68.24 -42.39 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 1.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -55.34 -39.58 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.03 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.18 -48.22 68.61 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.051 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . 0.55 ' C ' HH12 ' B' ' 235' ' ' ARG . 63.3 mt -65.49 -39.86 92.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.419 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -57.87 -47.08 83.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.576 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.69 -39.83 92.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.999 0.428 . . . . 1.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' B' ' 232' ' ' ASN . 38.5 tt0 -60.88 -42.69 98.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.709 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.19 -41.91 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.816 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -55.17 -47.91 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.942 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -92.74 -15.72 26.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.716 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' B' ' 228' ' ' GLU . 18.8 m120 57.13 36.75 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 84.6 mt -109.6 156.0 40.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 1.0 110.536 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.16 144.51 99.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.531 2.154 . . . . 1.0 112.272 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.55 HH12 ' C ' ' B' ' 224' ' ' LEU . 4.7 tpm_? -61.28 -54.02 49.4 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.023 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -53.33 -38.2 63.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.2 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . 0.435 ' O ' ' OE1' ' B' ' 241' ' ' GLU . 62.3 t0 -66.54 -40.76 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 1.0 110.612 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.52 HD13 HH21 ' B' ' 235' ' ' ARG . 78.8 mt -66.94 -40.7 87.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.787 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.37 -44.16 97.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.568 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -57.38 -42.6 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.184 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . 0.556 ' N ' ' OE1' ' B' ' 241' ' ' GLU . 1.4 mp0 -63.36 -42.65 98.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.8 78.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.511 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.8 -53.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.534 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.38 -43.57 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.031 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -58.05 -41.07 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.424 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.47 -42.52 98.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.595 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.99 -41.72 98.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.753 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.48 -45.33 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.3 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.071 179.035 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.756 0.312 . . . . 1.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.53 138.58 30.59 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.512 HH21 HD23 ' B' ' 213' ' ' LEU . 28.8 ttt85 -84.0 141.09 31.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' HD22 ' A' ' 13' ' ' LEU . 75.9 mt -133.51 149.8 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 1.0 110.51 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.486 HD22 ' C ' ' A' ' 12' ' ' ILE . 4.2 mm? -104.21 111.85 24.63 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.344 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 212' ' ' ILE . 49.4 tp -108.77 126.59 53.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.213 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -115.85 124.26 50.21 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.973 0.416 . . . . 1.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -134.6 151.19 50.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.725 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -63.63 157.55 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.562 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -63.09 -37.53 87.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.525 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -57.39 -32.73 67.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.4 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.15 -44.19 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.67 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.9 mt -53.38 -38.17 31.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -64.57 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 1.0 110.005 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -67.09 -48.31 68.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.193 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.37 -40.89 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -51.86 -42.11 62.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.397 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -59.6 -43.17 93.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.401 . . . . 1.0 110.257 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.0 mp -70.26 -29.67 66.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.428 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.5 mt-10 -70.98 -39.93 72.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.91 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.24 -50.06 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.759 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.353 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -85.05 -15.92 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.804 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' GLU . 11.1 m120 56.89 37.87 29.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.297 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.3 mt -136.52 152.62 75.08 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.028 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.45 151.44 84.94 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.62 2.213 . . . . 1.0 112.055 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -58.82 -45.26 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.842 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.23 -37.92 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.052 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 66.1 t0 -68.73 -37.82 79.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 1.0 110.741 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.75 -39.83 91.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.65 -44.04 97.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.757 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -60.63 -43.21 97.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.19 -40.36 82.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.58 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.38 96.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.32 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.85 -53.51 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.2 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.31 -48.66 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.853 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.62 -41.19 98.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.704 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -60.99 -44.59 97.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.64 -46.74 88.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.479 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.322 -0.619 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.63 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 57.2 mtp . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.854 0.359 . . . . 1.0 110.273 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -101.23 -19.36 16.77 Favored Glycine 0 N--CA 1.461 0.365 0 N-CA-C 111.57 -0.612 . . . . 1.0 111.57 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.5 ttm-85 57.38 124.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.008 0.432 . . . . 1.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.473 ' C ' HD12 ' B' ' 213' ' ' LEU . 90.5 mt -136.96 148.8 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.285 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.559 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.2 mp -101.33 131.68 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ILE . 59.1 tp -131.38 138.32 49.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 215' ' ' ASP . 37.9 p-10 -129.51 133.08 47.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 1.0 110.7 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.498 ' O ' ' O ' ' B' ' 217' ' ' SER . 91.4 mt -135.37 160.82 37.24 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.474 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . 0.498 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -53.65 -159.08 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.364 179.572 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -103.95 -43.81 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.797 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -59.32 -27.57 66.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.352 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.38 -43.7 78.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.547 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.96 -34.74 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -68.17 -38.52 82.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.088 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.38 -46.82 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.912 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.5 mt -63.0 -39.35 94.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.689 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -54.84 -42.55 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.573 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.28 -40.11 89.23 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.646 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.71 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.79 -39.26 73.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.199 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 64.7 t -86.9 -36.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.905 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -43.87 -27.45 0.35 Allowed 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 83.7 mtt85 -117.98 -92.72 0.52 Allowed 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 120.361 -0.535 . . . . 1.0 110.867 178.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.558 ' H ' HD12 ' B' ' 233' ' ' LEU . 19.3 t30 165.92 60.71 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.82 0.7 . . . . 1.0 110.997 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.778 HD22 ' C ' ' B' ' 233' ' ' LEU . 0.0 OUTLIER -164.12 156.03 14.42 Favored Pre-proline 0 C--N 1.312 -1.03 0 CA-C-O 121.385 0.612 . . . . 1.0 110.174 -177.627 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . 0.527 ' O ' HD22 ' B' ' 233' ' ' LEU . 19.8 Cg_endo -57.94 142.51 96.59 Favored 'Trans proline' 0 C--N 1.293 -2.36 0 C-N-CA 122.37 2.047 . . . . 1.0 113.882 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 20.1 ptp180 -57.98 -40.73 81.39 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.25 0.548 . . . . 1.0 110.658 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -46.12 -43.1 14.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.143 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . 0.526 ' HB2' HD23 ' B' ' 233' ' ' LEU . 58.1 m-20 -63.59 -35.36 80.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.519 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.425 ' HG ' HD21 ' B' ' 233' ' ' LEU . 6.8 mt -67.14 -39.31 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.933 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 239' ' ' LEU . 92.6 mt -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.99 -42.04 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.345 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.7 -37.25 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.622 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.51 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.75 -53.73 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.448 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -51.07 -47.12 61.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 1.0 109.856 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -63.06 -40.59 98.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.554 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.84 -44.1 97.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.288 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.19 -44.61 97.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.324 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.07 -46.02 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.112 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.588 179.666 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.1 mtp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.807 0.337 . . . . 1.0 110.317 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -61.45 121.49 26.3 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HD2' HD11 ' B' ' 213' ' ' LEU . 61.0 ttp180 -74.1 130.75 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 1.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -134.57 142.22 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.919 0.39 . . . . 1.0 110.088 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.9 mp -98.97 126.5 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.256 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.8 tp -114.18 128.4 56.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.0 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -109.15 111.11 22.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.505 ' O ' ' SD ' ' B' ' 209' ' ' MET . 82.5 mt -104.68 -162.28 0.88 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.056 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -130.16 152.17 49.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 1.0 110.284 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -51.27 -39.27 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.418 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.8 -38.73 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.54 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.5 -45.01 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.413 . . . . 1.0 110.754 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.24 -34.69 22.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 1.0 109.929 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.83 -40.35 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.168 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.06 -47.5 79.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.104 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.5 -41.91 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.78 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.21 -41.31 83.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -58.34 -40.75 82.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.04 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.19 -30.58 65.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.65 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.3 mt-10 -70.63 -40.84 72.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.805 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.88 -49.66 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.78 -45.37 94.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.59 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.523 ' NH1' HD22 ' A' ' 38' ' ' LEU . 78.2 mtp180 -84.51 -14.84 47.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.768 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' GLU . 15.4 m120 55.48 40.91 31.29 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.536 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 mt -133.59 151.87 78.01 Favored Pre-proline 0 N--CA 1.463 0.178 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.03 151.56 84.06 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.551 2.167 . . . . 1.0 112.161 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 20.7 ptp180 -64.3 -45.82 86.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.284 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -45.59 -41.24 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.104 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.66 -38.67 84.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.542 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.523 HD22 ' NH1' ' A' ' 31' ' ' ARG . 97.5 mt -67.87 -39.46 83.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.647 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.22 -45.28 94.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -56.34 -42.64 78.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.127 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 81.0 mm-40 -68.71 -36.98 79.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.445 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.73 81.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.08 -54.21 37.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 120.694 -0.403 . . . . 1.0 110.463 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -53.46 -50.95 64.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.128 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 1.8 mp0 -65.06 -37.6 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.408 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -61.01 -44.65 97.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.551 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.42 HD23 HD11 ' B' ' 227' ' ' LEU . 8.7 mt -57.4 -47.94 80.39 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.756 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.5 mt . . . . . 0 C--N 1.321 -0.648 0 CA-C-O 121.182 0.515 . . . . 1.0 110.846 179.359 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 9.0 mmm . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 110.208 -0.293 . . . . 1.0 110.208 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -115.65 -7.55 15.57 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 111.149 -0.78 . . . . 1.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.1 ttp180 58.16 133.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.026 0.441 . . . . 1.0 110.419 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.503 ' CD1' HD12 ' A' ' 16' ' ' LEU . 95.6 mt -140.76 154.99 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.13 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.503 HD11 ' HD2' ' A' ' 11' ' ' ARG . 9.8 tp -113.87 140.08 48.65 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.602 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.686 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.4 OUTLIER -143.09 146.93 34.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.766 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.686 ' H ' HD23 ' B' ' 214' ' ' LEU . 92.3 m-20 -114.59 115.3 26.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.694 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 10' ' ' GLY . 4.1 mm? -115.51 145.76 42.32 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.873 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 65.4 m -59.03 -160.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.344 -0.844 . . . . 1.0 109.819 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -107.2 -22.24 12.68 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.669 0.271 . . . . 1.0 110.52 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . 0.558 ' OE2' ' N ' ' B' ' 219' ' ' GLU . 55.4 mp0 -75.97 -32.8 59.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.692 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.49 -45.07 79.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.77 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -52.96 -34.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 1.0 109.897 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.53 -39.97 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.206 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -66.19 -46.95 75.54 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.004 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.68 -41.98 99.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.88 -40.12 91.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.212 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.91 -38.83 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.033 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . 0.42 HD11 HD23 ' A' ' 47' ' ' LEU . 95.5 mt -73.24 -29.3 62.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.678 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 232' ' ' ASN . 41.3 mt-10 -70.65 -39.04 73.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.852 0.358 . . . . 1.0 110.752 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.1 -49.41 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.4 -46.11 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.674 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -82.92 -14.17 54.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.71 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' B' ' 228' ' ' GLU . 76.8 m-20 51.31 46.89 25.81 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.786 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -135.91 158.09 74.64 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.68 148.7 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.741 2.294 . . . . 1.0 112.808 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 235' ' ' ARG . 39.3 ttp-105 -60.39 -44.81 95.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.355 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.92 -41.14 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.249 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -65.53 -37.55 87.07 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.575 ' HG ' HD21 ' B' ' 233' ' ' LEU . 42.4 mt -66.48 -42.3 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.867 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.18 -46.84 82.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.819 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.63 -44.05 93.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.97 -38.21 82.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.767 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.17 96.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.82 -52.15 53.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.149 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -52.08 -47.34 65.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.933 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.98 -41.71 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.846 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.55 -41.72 95.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.799 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.52 -44.44 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.049 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.125 179.848 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 72.2 mtp . . . . . 0 N--CA 1.465 0.322 0 CA-C-O 120.838 0.352 . . . . 1.0 110.415 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.78 140.02 10.41 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -91.32 147.53 22.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 1.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' B' ' 214' ' ' LEU . 8.1 mm -134.13 154.93 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.581 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' N ' HG22 ' A' ' 12' ' ' ILE . 37.3 tp -116.62 121.47 41.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -127.81 138.17 52.63 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.455 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 41.1 p-10 -115.0 113.99 24.83 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.801 0.334 . . . . 1.0 110.793 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -114.7 139.49 49.62 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.766 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -56.99 157.43 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.251 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.712 HD22 ' H ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -65.53 -26.67 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.577 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.712 ' H ' HD22 ' A' ' 18' ' ' ASN . 79.6 tt0 -67.74 -38.9 84.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.554 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.19 -43.24 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.533 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.6 -36.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -66.08 -40.59 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.274 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -63.64 -48.91 75.32 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.749 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.88 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.646 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -42.87 82.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -61.76 -42.84 99.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 1.0 110.195 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.19 -33.3 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.746 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 32' ' ' ASN . 33.5 mt-10 -65.12 -43.29 92.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.83 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.44 -44.29 98.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -67.49 -40.48 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 39.1 mmm-85 -88.21 -3.47 58.86 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.808 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' GLU . 5.0 p-10 43.6 41.37 3.42 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -135.08 150.55 73.3 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.943 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.52 152.48 78.42 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.541 2.161 . . . . 1.0 112.058 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -62.47 -40.31 96.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.7 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.65 52.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.368 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -65.13 -42.14 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.53 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.81 -41.46 95.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.797 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.58 -41.95 99.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.734 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.57 -43.54 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.188 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.31 -44.52 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.95 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.583 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.72 -53.66 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.839 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -56.84 -44.79 82.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.322 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -54.84 -45.36 74.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.695 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -64.83 -45.18 87.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' CD2' ' CD1' ' B' ' 227' ' ' LEU . 49.4 mt -62.61 -44.85 95.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.155 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 C--N 1.314 -0.953 0 C-N-CA 120.791 -0.364 . . . . 1.0 110.482 179.841 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 54.7 mmm . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.728 0.299 . . . . 1.0 110.213 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -113.58 -8.54 18.59 Favored Glycine 0 N--CA 1.466 0.7 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 80.7 ttt180 56.2 117.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 1.0 110.163 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.4 mm -121.41 147.37 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 22.2 tp -110.42 121.09 44.45 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.215 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 12' ' ' ILE . 41.8 tp -128.96 140.11 51.8 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.776 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' B' ' 215' ' ' ASP . 22.2 p30 -127.7 123.88 36.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.454 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' B' ' 217' ' ' SER . 63.4 mt -122.59 152.72 40.15 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.623 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . 0.615 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -47.31 -158.76 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.876 0.735 . . . . 1.0 110.664 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -106.18 -39.1 6.06 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 122.034 -0.416 . . . . 1.0 110.94 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -32.27 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.352 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.26 -47.6 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.467 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.18 -33.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.2 -39.67 89.83 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.98 -46.7 88.09 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' B' ' 224' ' ' LEU . 3.4 mm? -62.53 -43.68 98.21 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.677 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.82 -47.88 81.37 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 123.553 0.533 . . . . 1.0 110.466 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.61 -47.13 87.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . 0.419 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.2 mt -65.86 -34.14 77.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.915 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 3.6 tm-20 -65.75 -42.5 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.033 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.876 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.83 -42.99 72.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.976 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.472 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.5 mmm180 -68.4 -38.61 81.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.661 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 50.2 t30 73.39 48.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.17 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.606 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.83 158.72 32.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.51 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.16 145.13 93.87 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.492 2.128 . . . . 1.0 112.235 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -61.44 -38.75 88.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.353 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.26 54.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.122 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.09 -40.64 98.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 109.996 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.453 HD21 ' HE ' ' B' ' 231' ' ' ARG . 83.0 mt -63.38 -43.34 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.088 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.68 -44.09 94.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.22 -42.43 90.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.359 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.24 -39.28 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.56 93.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.501 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.06 -53.62 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.473 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -53.86 -48.45 69.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.856 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -56.79 -42.72 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.73 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.08 -43.2 99.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.481 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.29 -45.11 95.84 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.529 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 89.1 mt -53.92 -43.4 57.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.518 179.628 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.414 ' SD ' ' OG ' ' B' ' 217' ' ' SER . 90.5 mmm . . . . . 0 CA--C 1.524 -0.041 0 CA-C-O 120.875 0.369 . . . . 1.0 110.688 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.26 129.55 14.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -84.26 145.01 28.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 1.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' C ' HD22 ' A' ' 13' ' ' LEU . 64.9 mt -139.49 149.51 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.579 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.9 mm? -95.4 123.88 39.15 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 120.989 0.423 . . . . 1.0 110.669 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.728 HD21 HD13 ' B' ' 239' ' ' LEU . 0.8 OUTLIER -114.12 130.3 56.59 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.437 -0.801 . . . . 1.0 111.08 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -101.58 111.06 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.616 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' B' ' 210' ' ' GLY . 20.8 mt -124.55 132.96 53.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.514 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.02 155.01 11.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.397 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -59.97 -36.65 77.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.425 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 19' ' ' GLU . 54.2 mp0 -56.57 -36.19 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.621 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.57 -43.16 80.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.941 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.7 mm -52.97 -40.68 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.087 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -63.69 -40.24 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.312 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.02 -47.18 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.067 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 73.0 mt -58.19 -44.3 87.97 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.401 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.63 ' O ' HG23 ' A' ' 29' ' ' VAL . 27.5 t70 -62.14 -34.77 76.99 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.954 0.406 . . . . 1.0 110.667 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -66.44 -50.29 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.449 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 pp -79.53 -28.89 41.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.289 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 78.1 tt0 -75.66 -38.23 58.96 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.975 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 25' ' ' ASP . 40.7 t -65.41 -45.99 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.224 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -67.46 -36.69 81.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.579 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -71.73 -17.91 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.62 41.02 32.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 mt -137.73 152.23 72.16 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.795 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.87 144.41 93.36 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.565 2.177 . . . . 1.0 112.145 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 36' ' ' ALA . 49.7 ptt85 -60.49 -39.91 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.323 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 35' ' ' ARG . . . -49.16 -41.25 35.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.097 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.03 -42.8 80.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.748 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.86 -42.53 85.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.63 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.72 HD13 HD21 ' B' ' 214' ' ' LEU . 84.2 mt -63.17 -45.53 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.7 -43.46 85.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.296 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -65.25 -41.04 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.533 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.365 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.5 -53.39 32.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -51.96 -43.24 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.94 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -56.58 -38.85 72.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.49 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' OH ' ' NH1' ' B' ' 231' ' ' ARG . 51.4 t80 -62.41 -40.48 96.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.389 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.57 -40.57 87.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.656 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mm . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -179.63 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 1.0 110.363 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -50.35 119.4 7.15 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.633 -0.987 . . . . 1.0 110.633 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -97.47 120.59 38.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 1.0 110.52 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.74 150.2 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.53 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.517 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.8 mp -94.4 130.67 40.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.15 0.5 . . . . 1.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -111.85 131.48 55.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.345 -0.843 . . . . 1.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.438 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 44.7 p-10 -103.63 114.81 29.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.718 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 75.7 mt -134.14 137.68 44.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . 0.414 ' OG ' ' SD ' ' A' ' 9' ' ' MET . 4.9 m -57.33 152.31 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.269 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . 0.558 HD22 ' N ' ' B' ' 219' ' ' GLU . 0.3 OUTLIER -63.3 -23.72 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.552 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . 0.558 ' N ' HD22 ' B' ' 218' ' ' ASN . 99.0 mt-10 -67.46 -35.67 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.538 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.39 -43.62 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.835 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.4 mt -53.01 -38.3 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.152 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.66 -46.84 77.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.931 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.92 -44.19 97.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.369 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.72 -37.5 86.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.388 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.51 -40.86 98.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.491 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.2 mt -79.05 -28.46 43.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.918 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' B' ' 233' ' ' LEU . 14.5 tm-20 -62.62 -40.6 97.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.783 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.18 -42.28 87.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.171 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.18 -47.73 71.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.879 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.437 ' NH1' ' OH ' ' A' ' 46' ' ' TYR . 99.4 mtt180 -86.84 -32.51 20.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.598 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.481 ' C ' HD12 ' B' ' 233' ' ' LEU . 47.8 t30 70.72 37.9 1.32 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.644 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.481 HD12 ' C ' ' B' ' 232' ' ' ASN . 9.0 mp -115.23 157.18 44.39 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.53 141.62 95.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.482 2.122 . . . . 1.0 111.976 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 235' ' ' ARG . 34.0 ttm105 -60.18 -43.71 95.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.36 -40.94 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.192 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -66.23 -40.74 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.204 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.03 -44.36 89.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.603 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 14' ' ' LEU . 87.8 mt -68.22 -47.56 67.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.227 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.49 -43.56 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.94 -38.36 86.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.493 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.48 79.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.181 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.3 t -67.86 -52.69 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.274 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -50.95 -41.15 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.518 . . . . 1.0 109.6 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -62.24 -40.25 95.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.829 0.347 . . . . 1.0 110.417 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -62.53 -43.74 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.556 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.87 -45.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.894 0.378 . . . . 1.0 110.319 179.489 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.9 mmm . . . . . 0 C--O 1.23 0.061 0 N-CA-C 110.077 -0.342 . . . . 1.0 110.077 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -118.24 -5.19 13.31 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' GLY . 60.9 ttp180 57.81 121.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.005 0.431 . . . . 1.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mm -131.98 143.87 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.546 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.6 mt -99.62 129.93 45.81 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.577 -0.738 . . . . 1.0 110.506 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD13 HD13 ' B' ' 239' ' ' LEU . 45.1 tp -125.2 133.75 52.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.75 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' B' ' 210' ' ' GLY . 64.2 t0 -111.49 113.87 26.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.996 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 mt -124.53 144.49 50.09 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -58.59 154.04 15.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.092 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -64.81 -37.58 88.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.756 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -57.29 -36.63 71.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.612 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.75 -43.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.8 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.35 -37.99 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -64.53 -39.3 93.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -65.7 -49.03 70.02 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.001 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.47 -39.67 91.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -56.33 -47.66 78.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.448 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.03 -46.35 88.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 1.0 110.564 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.65 -34.86 72.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.934 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 69.2 tt0 -66.69 -41.97 87.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.881 0.372 . . . . 1.0 110.599 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.71 -44.23 89.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -61.19 -39.24 89.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.665 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.549 ' NH1' ' OH ' ' B' ' 246' ' ' TYR . 81.0 mtp180 -84.14 -4.83 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 18.9 p30 43.72 43.29 4.84 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.431 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.9 mt -134.7 152.85 78.36 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.55 145.56 98.56 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.515 2.143 . . . . 1.0 112.216 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' N ' ' OE2' ' A' ' 28' ' ' GLU . 80.8 ttt180 -63.63 -42.4 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.261 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -40.83 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.248 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.29 -38.64 91.77 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' NH1' ' A' ' 31' ' ' ARG . 99.3 mt -62.44 -44.11 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD13 HD13 ' B' ' 214' ' ' LEU . 90.6 mt -64.16 -43.73 94.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.021 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -57.28 -46.33 83.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.322 0.582 . . . . 1.0 110.125 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.55 -40.63 76.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.234 -0.894 . . . . 1.0 110.487 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.48 -48.77 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.56 -51.52 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.059 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -52.83 -48.02 67.29 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -64.1 -37.28 86.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.968 0.413 . . . . 1.0 110.245 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -61.52 -43.2 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.324 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.38 -39.95 92.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.658 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 -179.768 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 78.1 mtp . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.649 0.262 . . . . 1.0 110.421 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 15' ' ' ASP . . . -130.32 172.3 20.34 Favored Glycine 0 N--CA 1.465 0.583 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -123.84 129.91 51.77 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.861 0.362 . . . . 1.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.56 141.07 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.257 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.492 ' N ' HD12 ' B' ' 213' ' ' LEU . 11.3 mp -100.91 128.51 46.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.415 HD13 HD13 ' A' ' 39' ' ' LEU . 35.5 tp -124.05 134.68 53.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.538 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 43.4 p-10 -104.09 110.75 23.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.617 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.561 ' O ' ' O ' ' B' ' 217' ' ' SER . 53.6 mt -115.41 136.62 52.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.646 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . 0.561 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.2 OUTLIER -50.46 -157.5 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.949 0.781 . . . . 1.0 110.07 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -110.94 -38.52 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.847 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.97 -32.03 72.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.684 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 79.8 t -68.09 -42.94 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.807 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.18 -38.0 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -64.0 -39.47 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.35 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.81 -47.15 81.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.177 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.93 -42.54 99.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.654 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . 0.434 ' O ' HG23 ' B' ' 229' ' ' VAL . 50.2 t0 -62.17 -44.11 97.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -61.68 -44.21 97.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.605 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.3 mp -74.24 -28.75 61.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.612 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -68.7 -38.83 80.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.212 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 225' ' ' ASP . 57.8 t -60.91 -43.99 96.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.57 -41.94 92.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 1.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.21 -30.0 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.618 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 60.59 45.34 10.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.33 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 14.8 mt -139.04 154.12 72.2 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.987 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.6 144.36 99.44 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.193 1.929 . . . . 1.0 111.968 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.2 ptt-85 -58.59 -42.34 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.386 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -50.05 -38.92 40.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.137 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -70.27 -41.14 73.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.1 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.0 -42.53 97.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.46 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 14' ' ' LEU . 86.1 mt -63.63 -42.64 98.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.65 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.03 -42.32 98.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.262 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.29 -39.15 93.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.506 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.74 95.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.515 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.56 -52.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.638 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -53.63 -45.67 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.088 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.64 -42.59 71.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.519 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . 0.549 ' OH ' ' NH1' ' A' ' 31' ' ' ARG . 81.9 t80 -63.54 -42.59 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.041 0.448 . . . . 1.0 110.639 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.6 -38.13 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.781 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.74 -43.91 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.075 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 120.85 0.357 . . . . 1.0 110.454 179.599 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.941 0.401 . . . . 1.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.47 135.39 8.28 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.728 -0.949 . . . . 1.0 110.728 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -89.93 138.82 31.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.986 0.422 . . . . 1.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 13' ' ' LEU . 66.5 mt -136.34 146.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 1.0 110.26 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.8 mp -100.28 131.77 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.381 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -124.01 130.16 52.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.634 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.452 ' C ' HD22 ' A' ' 16' ' ' LEU . 83.0 m-20 -103.55 125.87 50.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.693 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.3 mm? -108.07 -177.75 3.42 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.639 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.84 6.12 29.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 76.32 -54.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.458 0.474 . . . . 1.0 110.699 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -27.68 65.83 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.171 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.96 -41.13 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.223 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -51.68 -36.98 19.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.05 -37.38 85.7 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -63.59 -49.33 73.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.194 0.521 . . . . 1.0 109.689 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.0 mt -64.85 -34.38 78.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.76 -41.95 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.19 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -62.38 -36.77 83.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 1.0 110.309 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.92 -28.01 55.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.61 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 33' ' ' LEU . 13.6 tm-20 -67.27 -40.06 86.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.87 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.37 -49.9 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.799 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.06 -42.46 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.367 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.0 mmt-85 -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.848 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.05 43.18 30.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 14.8 mt -138.07 153.97 73.8 Favored Pre-proline 0 C--O 1.22 -0.481 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.811 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.35 149.29 82.1 Favored 'Trans proline' 0 C--N 1.301 -1.926 0 C-N-CA 122.799 2.333 . . . . 1.0 112.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.77 -48.78 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.477 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -41.84 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.395 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.03 -40.22 94.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.793 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -41.75 97.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.751 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.35 -48.41 79.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -57.95 -44.08 86.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.318 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.38 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.592 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.0 71.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.445 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.57 -53.79 40.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -51.73 -50.57 60.31 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -61.66 -41.55 97.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.575 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.85 -45.4 94.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.454 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.42 -42.15 98.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.633 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.352 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 80.1 mtp . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 120.922 0.391 . . . . 1.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -55.73 174.2 1.14 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.702 -0.959 . . . . 1.0 110.702 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -133.74 129.9 37.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.884 0.373 . . . . 1.0 110.494 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 76.1 mt -132.79 143.47 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.249 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.545 ' N ' HD12 ' B' ' 213' ' ' LEU . 10.3 mp -93.13 132.11 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.326 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.421 HD21 HD11 ' B' ' 216' ' ' LEU . 54.7 tp -124.05 131.33 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.551 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' B' ' 215' ' ' ASP . 43.5 p-10 -114.73 111.27 21.01 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.654 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.421 HD11 HD21 ' B' ' 214' ' ' LEU . 52.0 mt -121.47 148.57 44.27 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.664 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.9 m -66.72 155.68 37.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.445 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -60.21 -40.0 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -57.75 -36.43 72.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.524 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.26 -42.27 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.88 -39.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.43 -35.82 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.41 -49.02 68.17 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.151 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.43 -39.69 94.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.486 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -52.38 -44.01 65.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.221 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.65 -40.7 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.387 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.39 -29.27 61.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.586 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' B' ' 232' ' ' ASN . 14.2 tm-20 -68.8 -41.34 78.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.762 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.38 -50.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.739 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.01 -42.21 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 26.2 mmt180 -80.59 -16.67 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' B' ' 228' ' ' GLU . 12.5 p30 43.56 51.69 6.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.586 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.7 mt -139.7 153.79 70.46 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.895 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.19 148.39 78.64 Favored 'Trans proline' 0 C--N 1.3 -1.982 0 C-N-CA 122.773 2.315 . . . . 1.0 112.279 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -60.91 -49.14 78.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.79 11.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.317 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -65.07 -39.84 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.655 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.41 -45.42 91.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.481 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 99.4 mt -66.01 -46.67 77.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.091 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -56.71 -46.41 81.27 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.088 0.471 . . . . 1.0 110.205 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -67.25 -37.28 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.675 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.36 85.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.59 -53.37 39.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -52.34 -50.73 61.74 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.999 0.428 . . . . 1.0 109.984 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -55.92 -43.89 77.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.456 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -60.52 -41.01 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.7 mt -61.17 -42.59 98.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.78 -46.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.371 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 63.0 t30 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.306 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.1 mtp . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.13 139.21 25.62 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -84.82 139.02 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 1.0 110.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.05 134.97 53.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.23 121.95 37.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.3 tp -101.75 121.92 42.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.909 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 45.8 p-10 -99.86 119.21 37.83 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.95 0.405 . . . . 1.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -151.14 147.79 27.48 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.84 0.829 . . . . 1.0 110.45 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -59.86 156.74 13.68 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.723 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -68.33 -30.05 68.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -58.76 -33.73 70.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.92 -45.11 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.683 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 74.5 mt -52.8 -36.53 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.549 -0.538 . . . . 1.0 109.549 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.43 -44.15 95.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.778 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.58 -46.96 71.13 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.881 -0.6 . . . . 1.0 109.875 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.1 tp -65.0 -51.27 62.62 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.784 0.802 . . . . 1.0 109.614 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 17.6 t0 -51.6 -46.17 63.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.067 -0.97 . . . . 1.0 110.259 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.554 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 31.2 t70 -60.7 -37.23 80.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.435 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.5 tp -66.74 -36.7 83.08 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 110.112 -0.329 . . . . 1.0 110.112 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 66.7 tt0 -62.55 -38.43 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.889 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.739 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -64.79 -40.69 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 1.0 110.726 -179.646 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.427 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 16.7 mmt85 -77.81 -9.45 59.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.602 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 4.7 p-10 44.3 42.51 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.375 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 mt -137.33 154.67 75.65 Favored Pre-proline 0 N--CA 1.463 0.215 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.589 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.67 144.31 97.89 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.391 2.061 . . . . 1.0 111.919 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.602 HH11 HD11 ' A' ' 39' ' ' LEU . 47.6 ttp85 -61.44 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.661 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.28 -40.41 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.286 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -66.5 -39.01 88.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.828 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 mt -65.37 -43.34 91.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.031 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.602 HD11 HH11 ' A' ' 35' ' ' ARG . 81.6 mt -63.34 -43.48 97.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -61.96 -43.7 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.304 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -66.29 -42.55 88.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.869 0.366 . . . . 1.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.28 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.81 -51.27 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 1.0 110.367 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -54.44 -46.68 73.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.079 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -57.42 -42.39 82.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.468 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.21 -41.85 99.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.469 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.682 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.105 -179.845 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 71.8 mtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.933 0.397 . . . . 1.0 110.026 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -127.62 40.17 1.8 Allowed Glycine 0 N--CA 1.462 0.376 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -40.82 154.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.782 0.325 . . . . 1.0 110.786 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.43 HG22 ' N ' ' B' ' 213' ' ' LEU . 50.8 mt -138.58 155.85 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.372 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.43 ' N ' HG22 ' B' ' 212' ' ' ILE . 7.1 mt -91.84 138.83 31.23 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 34.9 tp -138.81 142.66 38.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.178 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.486 ' C ' HD12 ' B' ' 216' ' ' LEU . 0.9 OUTLIER -116.5 125.85 52.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 1.0 110.676 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.607 ' O ' ' O ' ' B' ' 217' ' ' SER . 9.8 mp -119.36 144.96 46.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.169 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . 0.607 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.3 OUTLIER -49.26 -154.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 124.235 0.96 . . . . 1.0 110.023 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -112.07 -40.2 4.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.502 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.71 -32.11 71.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.18 -42.97 79.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.959 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.78 -36.12 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -65.98 -41.13 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.345 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -61.97 -45.57 93.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.002 -0.544 . . . . 1.0 109.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.42 -41.61 98.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.442 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.09 -47.06 86.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.422 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.45 -45.81 92.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.914 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.12 -36.29 82.76 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 235' ' ' ARG . 66.3 tt0 -67.57 -40.12 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.77 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.13 -44.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.78 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.65 -40.64 92.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 1.0 110.744 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.475 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.1 mmm180 -68.87 -36.35 77.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.689 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.51 43.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.175 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.597 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -149.32 158.99 37.71 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-O 120.788 0.328 . . . . 1.0 110.118 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.87 142.79 99.26 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.328 2.018 . . . . 1.0 112.009 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . 0.525 ' N ' ' OE1' ' B' ' 228' ' ' GLU . 34.6 ptt180 -61.06 -40.97 95.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.161 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.86 -38.88 23.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.024 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -66.05 -38.33 88.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.654 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -42.23 91.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.9 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.358 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.144 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.75 -41.36 83.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.498 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.16 87.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.929 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.44 -50.72 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.383 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.59 -46.08 73.71 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.567 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -63.82 -39.92 95.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.501 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -61.51 -42.75 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.508 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.85 -40.5 95.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.729 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.52 -44.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.021 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.518 179.679 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 ptm . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.696 0.284 . . . . 1.0 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.4 164.69 15.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 11' ' ' ARG . 46.8 ttm105 -138.94 132.96 31.18 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.167 -0.308 . . . . 1.0 110.167 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 13' ' ' LEU . 42.8 mm -130.66 161.04 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.543 ' N ' HG22 ' A' ' 12' ' ' ILE . 62.1 mt -108.01 140.73 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.045 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 tp -121.97 128.75 51.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.586 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -101.07 115.59 30.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.75 -179.04 4.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.211 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.5 OUTLIER -112.15 7.37 19.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.853 -179.327 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 77.81 -43.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.372 0.42 . . . . 1.0 110.11 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.56 -31.94 72.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.364 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.45 -39.41 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.539 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.1 mt -54.98 -39.96 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -63.49 -38.91 92.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.018 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.02 -49.36 70.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.115 0.483 . . . . 1.0 109.729 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' GLU . 69.2 mt -64.14 -36.84 85.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.494 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -56.1 -43.79 78.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.416 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' HG12 ' A' ' 29' ' ' VAL . 44.1 t0 -61.73 -37.12 83.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.232 0.539 . . . . 1.0 110.29 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 mt -83.65 -27.71 28.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.079 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 33' ' ' LEU . 4.9 tm-20 -78.18 -41.02 35.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.134 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 30' ' ' GLN . 9.7 p -56.38 -48.4 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.024 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.603 ' N ' HG13 ' A' ' 29' ' ' VAL . 88.0 mt-30 -60.41 -42.04 95.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.966 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 95.6 mtt-85 -78.44 -15.55 58.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.682 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' GLU . 20.6 p30 44.03 50.26 7.3 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.379 0.424 . . . . 1.0 110.651 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.504 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 16.3 mt -137.37 154.51 75.46 Favored Pre-proline 0 N--CA 1.463 0.191 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.804 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.515 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 18.3 Cg_endo -59.32 144.71 99.31 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.395 2.064 . . . . 1.0 112.431 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.03 -40.13 96.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.484 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.0 -45.24 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.313 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -65.81 -39.49 90.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.557 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 38' ' ' LEU . 92.7 mt -65.18 -41.64 94.39 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.369 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -45.75 88.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.606 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -59.97 -42.96 95.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.139 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -63.5 -38.54 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.78 93.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.281 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.42 -52.94 45.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.008 0.432 . . . . 1.0 110.075 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -52.61 -49.62 64.73 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.853 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -60.89 -40.75 94.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -62.76 -44.13 97.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.55 -41.76 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.625 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.21 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 73.6 mmm . . . . . 0 N--CA 1.468 0.446 0 CA-C-O 120.76 0.314 . . . . 1.0 110.173 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.24 168.1 7.11 Favored Glycine 0 C--O 1.225 -0.416 0 N-CA-C 110.393 -1.083 . . . . 1.0 110.393 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -135.19 116.59 14.64 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 110.269 -0.271 . . . . 1.0 110.269 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.1 mm -118.91 147.16 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.463 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.611 HD12 ' N ' ' B' ' 213' ' ' LEU . 9.9 mp -94.67 133.12 38.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.16 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.4 tp -117.7 127.33 53.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 215' ' ' ASP . 44.1 p-10 -94.01 118.33 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.78 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.28 -167.12 1.64 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.074 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.0 m -133.38 154.35 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.283 0.364 . . . . 1.0 110.297 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.15 -36.01 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.26 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.37 -37.79 88.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.514 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.09 -41.74 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.564 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.73 -39.09 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.04 -40.0 94.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.369 -0.378 . . . . 1.0 109.992 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.8 -49.06 77.84 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.108 0.48 . . . . 1.0 109.746 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.02 -37.4 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.589 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -59.23 -40.88 87.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.972 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.38 -39.61 93.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 1.0 110.234 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.41 -28.83 61.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.441 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 232' ' ' ASN . 4.2 tp10 -69.21 -38.76 78.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 1.0 110.848 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 77.0 t -63.39 -51.53 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.094 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' B' ' 230' ' ' GLN . 7.6 pt20 -62.02 -40.89 97.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.294 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.574 ' HB3' HD22 ' B' ' 233' ' ' LEU . 19.5 mmt180 -77.58 -28.14 51.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.69 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' B' ' 228' ' ' GLU . 17.1 t-20 52.23 53.02 13.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.424 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.77 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -148.64 159.76 37.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.06 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.78 144.73 99.6 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.792 2.328 . . . . 1.0 112.729 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -62.06 -42.32 99.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.172 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.19 -40.29 15.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.96 -39.1 92.97 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.502 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' B' ' 233' ' ' LEU . 38.7 mt -65.68 -40.64 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.862 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.27 -47.45 85.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.88 -44.52 86.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -68.25 -38.0 81.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.53 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.08 78.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.452 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.41 -53.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.028 0.442 . . . . 1.0 110.178 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.46 -47.79 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 1.0 109.935 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -61.46 -40.38 94.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.633 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.32 -44.43 97.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.1 mt -61.1 -41.94 97.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.613 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.4 -46.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.112 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.246 -179.893 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.6 mtp . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.883 0.373 . . . . 1.0 110.443 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.24 -170.78 24.04 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -125.76 137.06 53.78 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.848 0.356 . . . . 1.0 110.21 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.3 150.79 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.157 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' C ' ' A' ' 13' ' ' LEU . 4.9 tt -107.48 115.88 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.061 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.585 ' N ' HD23 ' A' ' 13' ' ' LEU . 53.6 tp -110.53 131.0 55.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -116.55 120.77 39.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.445 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.3 mt -123.88 145.74 48.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 m -60.67 152.01 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.242 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -60.54 -33.51 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.294 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.86 -36.75 70.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.23 -42.36 81.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.685 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.98 -42.22 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.8 -42.9 99.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.43 -45.67 65.41 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.74 -45.23 90.82 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 120.856 0.36 . . . . 1.0 110.123 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.46 -48.58 81.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.43 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.79 -43.94 90.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.514 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.659 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' OE2' ' O ' ' A' ' 33' ' ' LEU . 14.8 tm-20 -65.51 -40.74 93.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -72.56 -32.4 41.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.825 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -57.22 -48.46 78.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -92.24 -14.74 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.744 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.9 m120 60.15 28.45 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.661 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 5.7 mp -110.88 155.86 41.7 Favored Pre-proline 0 C--O 1.223 -0.317 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.27 147.08 94.1 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.632 2.222 . . . . 1.0 112.134 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -61.36 -42.71 99.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.732 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.19 -38.95 27.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.288 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.82 -41.69 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.422 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.71 -44.56 89.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.49 -45.05 85.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.985 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -56.32 -43.46 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.287 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.04 -38.74 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.703 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.59 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.253 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.78 -53.15 33.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.415 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.07 -45.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -61.11 -40.8 95.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.555 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -63.2 -45.03 93.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.96 -41.34 97.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.804 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.099 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 7.1 ptm . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.667 0.27 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -110.54 -177.86 20.72 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -142.12 126.81 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 1.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 212' ' ' ILE . . . . . 0.405 ' C ' HD12 ' B' ' 213' ' ' LEU . 16.8 mt -141.83 144.06 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.566 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 213' ' ' LEU . . . . . 0.559 ' C ' HD22 ' B' ' 214' ' ' LEU . 11.0 mp -101.19 126.12 47.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.957 0.408 . . . . 1.0 110.31 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 214' ' ' LEU . . . . . 0.559 HD22 ' C ' ' B' ' 213' ' ' LEU . 4.2 mm? -116.3 132.95 56.52 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.45 -0.796 . . . . 1.0 111.178 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -113.38 125.79 54.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.426 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.8 mt -134.11 144.95 48.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.715 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.4 m -56.39 150.52 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 218' ' ' ASN . . . . . 0.775 HD22 ' H ' ' B' ' 219' ' ' GLU . 0.0 OUTLIER -60.66 -29.25 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.493 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 219' ' ' GLU . . . . . 0.775 ' H ' HD22 ' B' ' 218' ' ' ASN . 80.4 mm-40 -66.0 -35.62 81.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.36 -43.52 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 62.3 mt -54.01 -37.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -65.44 -38.39 89.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.476 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.2 -47.69 76.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.218 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 225' ' ' ASP . . . . . 0.411 ' O ' HG23 ' B' ' 229' ' ' VAL . 53.2 t0 -56.01 -48.1 76.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.553 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 226' ' ' ASP . . . . . 0.546 ' O ' ' NE2' ' B' ' 230' ' ' GLN . 39.4 t0 -59.91 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.64 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.05 -33.68 75.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.121 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' B' ' 233' ' ' LEU . 70.3 tt0 -67.08 -37.71 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.729 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 229' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 225' ' ' ASP . 58.9 t -65.16 -42.85 95.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 230' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 226' ' ' ASP . 0.2 OUTLIER -58.47 -47.81 82.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.91 -179.182 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -77.7 -22.92 49.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 60.84 62.64 1.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.995 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 233' ' ' LEU . . . . . 0.595 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.34 158.61 32.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.484 -179.784 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -60.67 143.92 99.47 Favored 'Trans proline' 0 C--N 1.302 -1.903 0 C-N-CA 122.402 2.068 . . . . 1.0 111.944 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -62.44 -38.12 88.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.567 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -51.12 -38.6 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.01 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -66.37 -39.29 89.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 1.0 110.488 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 38.6 mt -63.89 -41.68 97.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.754 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.89 -43.08 99.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.528 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -61.58 -42.7 99.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.76 95.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.76 97.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.458 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 82.2 t -65.73 -53.24 40.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.527 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -51.96 -47.71 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.9 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.55 -41.27 80.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.703 0.287 . . . . 1.0 110.706 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -61.82 -41.7 98.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.125 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.57 -40.69 92.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.23 -47.39 92.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 N--CA 1.451 -0.403 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.555 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.9 mtp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -87.23 94.07 9.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.609 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -69.59 -23.79 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.656 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.3 mt 50.9 99.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.458 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.64 91.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.93 141.31 15.52 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.497 -1.041 . . . . 1.0 110.497 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 pt -96.25 131.57 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.986 0.422 . . . . 1.0 110.014 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 59.08 39.5 23.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.754 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp -123.82 125.37 44.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.11 -177.35 47.56 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.497 -1.041 . . . . 1.0 110.497 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -144.86 144.5 31.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 1.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -134.11 151.05 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.17 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.604 ' O ' HD22 ' A' ' 14' ' ' LEU . 13.4 mt -92.56 145.65 24.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 13' ' ' LEU . 1.5 mm? -126.46 132.9 51.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.141 -0.936 . . . . 1.0 111.0 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -107.58 111.54 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.49 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.7 mt -133.2 147.38 52.01 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.559 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -65.72 161.28 21.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.268 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.16 -38.93 90.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.51 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 46.0 mp0 -56.84 -34.94 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.505 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.94 -43.21 85.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.44 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.4 mt -53.86 -36.8 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.746 -0.464 . . . . 1.0 109.746 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.45 -40.11 92.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.98 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -63.6 -47.93 79.43 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.015 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.36 -42.29 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.79 -45.96 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.393 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -58.44 -42.95 88.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 1.0 110.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' CD1' ' CD2' ' B' ' 247' ' ' LEU . 6.8 mt -67.75 -33.9 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.665 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 32' ' ' ASN . 37.7 mt-10 -69.71 -36.08 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.745 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.3 -51.29 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.884 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' NE2' HD23 ' A' ' 27' ' ' LEU . 17.1 pt20 -62.37 -39.72 94.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.475 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 mmt-85 -85.89 -16.94 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.633 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 28' ' ' GLU . 65.8 m-20 55.49 39.83 31.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.224 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -136.07 153.71 76.99 Favored Pre-proline 0 N--CA 1.464 0.259 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.981 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.54 153.79 72.75 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.622 2.215 . . . . 1.0 112.008 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 33.9 ptt180 -61.24 -44.51 97.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.19 -41.28 26.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.244 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.82 -38.52 89.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.586 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.65 -41.75 75.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.669 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -55.46 -43.79 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.207 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.98 -36.64 83.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.65 80.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.32 -54.54 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.369 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -50.14 -43.94 52.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.953 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.47 -38.62 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.693 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -62.67 -46.68 87.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.71 -41.91 98.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.39 -44.64 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.635 -0.426 . . . . 1.0 110.158 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -66.34 -40.76 90.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.592 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.498 ' OE1' ' NH2' ' B' ' 231' ' ' ARG . 89.2 mm-40 -63.96 -43.91 94.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.772 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -113.28 111.74 22.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.486 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -162.26 -43.91 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.625 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -145.84 160.18 42.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.384 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -144.75 -9.92 0.61 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.513 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -64.62 -37.06 86.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.588 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 83.5 m -61.08 -44.7 96.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.571 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.6 p -75.19 160.48 30.35 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.199 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 m -130.67 152.8 81.08 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.708 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -49.1 146.6 12.29 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.361 2.04 . . . . 1.0 112.162 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.0 -156.87 0.84 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.704 -0.958 . . . . 1.0 110.704 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.3 mt -97.49 121.28 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.839 0.352 . . . . 1.0 110.412 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -154.09 127.49 8.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.474 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -157.94 -23.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.528 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 65' ' ' CYS . . . 91.99 -36.09 3.78 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 64' ' ' GLY . 40.1 m 49.48 178.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 1.0 110.5 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 48.76 75.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.424 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -93.01 152.64 19.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.502 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -79.35 170.52 16.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.517 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.07 -179.77 38.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.5 m -64.34 -31.41 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.673 0.273 . . . . 1.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 56.95 41.28 27.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.539 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -137.47 85.1 2.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.483 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -138.69 -93.16 0.19 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' ARG . 20.5 mmm180 50.64 -128.66 2.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.608 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.3 mttp 44.79 -105.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.456 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -104.22 33.69 3.38 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.281 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 74' ' ' ARG . 75.1 ttt180 -59.75 -43.54 94.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.07 146.31 51.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 55.72 59.96 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.555 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.53 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.44 -41.34 98.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.554 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 37.9 m -155.94 156.5 34.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.468 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' B' ' 206' ' ' GLY . 0.4 OUTLIER -147.08 -174.85 4.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.263 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 54.6 7.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.494 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' B' ' 204' ' ' LEU . . . -73.35 168.1 53.97 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 88.2 mt -109.51 109.79 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.059 0.457 . . . . 1.0 110.384 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 208' ' ' ASP . 57.1 t0 -171.23 30.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.541 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.6 mtp -82.26 133.41 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -67.02 142.16 41.02 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.556 -1.018 . . . . 1.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -94.64 135.19 36.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 1.0 110.688 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' LEU . 89.8 mt -133.35 134.61 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.278 0.561 . . . . 1.0 110.059 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.68 135.66 33.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.6 tp -119.07 127.12 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.499 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -100.28 121.72 41.93 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 58.3 mt -120.67 -164.82 1.14 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . 0.683 ' O ' ' N ' ' B' ' 219' ' ' GLU . 2.9 m -121.97 92.6 3.77 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 119.553 -0.859 . . . . 1.0 110.48 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 217' ' ' SER . 8.7 m120 21.88 -74.04 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 O-C-N 125.173 1.546 . . . . 1.0 112.388 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . 0.683 ' N ' ' O ' ' B' ' 217' ' ' SER . 96.8 mt-10 -50.06 -20.04 0.88 Allowed 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.487 -1.688 . . . . 1.0 109.761 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 217' ' ' SER . 76.4 t -72.53 -43.66 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.278 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.92 -34.65 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 1.0 109.245 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.81 -45.33 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.372 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -55.18 -46.52 75.82 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 116.218 -0.446 . . . . 1.0 109.837 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.12 -38.14 87.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.356 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . 0.41 ' O ' HG23 ' B' ' 229' ' ' VAL . 28.3 t70 -58.27 -43.47 87.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -60.71 -41.72 95.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.894 0.378 . . . . 1.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.894 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -69.69 -40.73 76.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.512 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . 0.53 ' O ' ' ND2' ' B' ' 232' ' ' ASN . 74.5 t -71.95 -51.88 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.859 -0.61 . . . . 1.0 111.153 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -54.58 -42.94 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.569 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.498 ' NH2' ' OE1' ' A' ' 50' ' ' GLN . 96.5 mtt-85 -79.44 -22.32 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' B' ' 229' ' ' VAL . 19.4 m120 61.02 61.53 1.59 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.592 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -154.52 160.31 31.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.384 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.46 139.25 88.6 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.388 2.058 . . . . 1.0 111.943 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' B' ' 236' ' ' ALA . 20.6 ptp180 -63.32 -41.13 98.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.363 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' B' ' 235' ' ' ARG . . . -48.32 -39.48 22.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.12 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -66.17 -40.86 90.79 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.91 -0.404 . . . . 1.0 109.91 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.605 HD23 ' OE1' ' B' ' 241' ' ' GLU . 21.2 mt -63.31 -41.14 98.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.107 0.48 . . . . 1.0 110.258 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . 0.598 HD13 HD21 ' A' ' 14' ' ' LEU . 92.4 mt -67.34 -45.96 74.86 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.629 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -52.89 -50.81 63.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.61 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . 0.605 ' OE1' HD23 ' B' ' 238' ' ' LEU . 3.9 pt-20 -65.66 -31.88 73.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.299 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.17 70.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.175 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.8 -51.22 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.187 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -52.79 -48.01 67.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.62 -41.33 81.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.924 0.393 . . . . 1.0 110.244 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.19 -43.66 97.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . 0.429 ' CD2' ' CD1' ' A' ' 27' ' ' LEU . 92.0 mt -62.14 -42.14 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.801 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.84 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.291 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . 0.419 ' O ' ' OE1' ' B' ' 252' ' ' GLN . 59.0 t-20 -64.18 -38.48 91.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 1.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -87.42 31.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.1 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 80.4 p -129.88 45.1 2.86 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.645 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . 0.706 ' H ' ' NE2' ' B' ' 252' ' ' GLN . 2.3 pm0 -89.45 -7.09 55.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . 0.522 ' O ' ' N ' ' B' ' 255' ' ' ARG . 43.5 p -91.19 1.97 56.7 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.375 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -54.34 83.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.456 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' B' ' 253' ' ' THR . 20.0 ptp180 -100.54 31.68 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.557 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 1.3 m 68.34 47.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.711 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 28.0 t -69.69 144.28 52.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.595 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . 0.7 HG13 ' O ' ' B' ' 258' ' ' VAL . 13.1 p -167.56 74.6 0.97 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.099 0.476 . . . . 1.0 110.388 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -59.91 141.7 97.08 Favored 'Trans proline' 0 C--N 1.302 -1.902 0 C-N-CA 122.593 2.196 . . . . 1.0 112.002 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' B' ' 262' ' ' TRP . . . -65.72 -34.86 90.04 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 21.5 tt -72.42 -16.74 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 1.0 110.692 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . 0.537 ' CD1' ' O ' ' B' ' 260' ' ' GLY . 86.7 m95 56.99 44.79 22.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.415 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? 63.39 111.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -152.54 -2.79 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.6 -38.21 90.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 110.68 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 267' ' ' GLU . 80.3 mm-40 -107.94 131.72 54.24 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.402 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' B' ' 266' ' ' GLU . 94.7 mt-10 55.88 115.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.02 -18.59 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.498 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 82.95 72.78 1.26 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 9.0 p -133.14 138.18 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.935 0.398 . . . . 1.0 110.465 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . 0.48 ' N ' ' CD ' ' B' ' 271' ' ' GLU . 1.3 pm0 -151.06 143.88 24.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.135 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -94.81 108.95 20.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' B' ' 275' ' ' LYS . 99.2 mm-40 -137.32 -109.88 0.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.416 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 41.31 -89.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.612 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' B' ' 273' ' ' GLN . 98.8 mttt -75.11 -94.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 1.0 110.581 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' B' ' 275' ' ' LYS . 1.5 tp 43.8 -169.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.543 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -145.57 139.67 26.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.422 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' B' ' 279' ' ' GLU . 29.7 tp10 -147.7 48.9 1.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.436 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . 0.516 ' O ' ' CD1' ' B' ' 280' ' ' TRP . 97.3 mt-10 55.51 159.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.047 0.451 . . . . 1.0 110.6 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' B' ' 279' ' ' GLU . 5.4 m-90 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.659 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.8 t30 56.58 37.55 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.534 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -62.33 -44.2 97.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.647 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -156.31 13.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.433 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.07 -79.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.486 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 8' ' ' ASP . . . 65.08 -80.52 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 pt -72.12 16.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-O 120.797 0.332 . . . . 1.0 110.728 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' A' ' 6' ' ' GLY . 96.7 m-20 53.6 29.59 9.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.579 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.1 mtp 43.15 -165.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.544 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.84 -177.65 22.96 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -146.1 121.09 10.03 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.086 0.47 . . . . 1.0 110.328 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.4 146.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.6 mp -98.09 122.71 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 1.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.48 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.68 ' O ' HD22 ' A' ' 16' ' ' LEU . 91.5 m-20 -105.45 112.51 25.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.652 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -131.58 144.81 51.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.824 179.481 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 m -58.01 149.47 23.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.52 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -60.56 -37.48 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.552 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -55.95 -32.31 63.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.639 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 16' ' ' LEU . 77.5 t -72.29 -41.83 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.7 mt -52.98 -38.79 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 109.827 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -65.08 -40.31 94.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.93 -46.64 80.8 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.069 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.07 -41.11 97.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.486 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.11 -50.23 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.486 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -58.92 -44.92 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.457 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.01 -34.27 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.793 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.81 -39.48 83.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.934 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.53 -44.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.008 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -75.55 -16.79 60.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.797 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.4 m120 55.66 33.48 21.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.347 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.827 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -127.51 158.12 70.82 Favored Pre-proline 0 C--O 1.224 -0.255 0 CA-C-O 121.0 0.428 . . . . 1.0 109.922 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.79 142.03 96.53 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 122.835 2.357 . . . . 1.0 112.911 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.8 -42.66 98.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.506 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.92 18.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.91 -38.09 87.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.65 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 33' ' ' LEU . 10.9 mt -66.07 -43.05 88.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.81 -45.67 88.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.556 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -59.25 -43.65 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.68 -42.34 98.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.767 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.86 82.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.0 t -71.25 -52.44 26.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.6 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -53.54 -46.03 70.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -55.05 -42.04 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.571 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -64.07 -41.48 97.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.411 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.49 -38.12 88.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.794 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt -60.76 -43.79 96.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.897 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 51' ' ' SER . 41.9 t30 -64.64 -53.59 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.85 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -73.54 20.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.983 0.421 . . . . 1.0 110.582 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.498 ' H ' ' C ' ' A' ' 49' ' ' ASN . 24.2 p -87.41 -8.3 56.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -71.73 135.55 46.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.4 p 45.36 74.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.471 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.2 113.97 25.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.443 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.452 ' NH2' ' OE1' ' B' ' 230' ' ' GLN . 90.6 mtm180 -64.14 -37.77 88.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.614 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 55' ' ' ARG . 18.9 p 49.29 85.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.486 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 m -68.49 147.03 52.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.63 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 58' ' ' VAL . 2.9 m -49.39 151.67 2.59 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.667 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -45.16 156.32 0.3 Allowed 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.65 2.234 . . . . 1.0 112.274 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.28 103.2 0.24 Allowed Glycine 0 CA--C 1.519 0.32 0 N-CA-C 110.777 -0.929 . . . . 1.0 110.777 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mm -106.58 128.01 61.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.996 0.427 . . . . 1.0 110.578 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -153.57 37.47 0.47 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.489 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -71.06 133.29 46.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.568 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.6 93.37 0.09 OUTLIER Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 t -150.66 106.34 3.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.793 0.33 . . . . 1.0 110.465 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.639 ' CD ' ' H ' ' A' ' 66' ' ' GLU . 2.2 pm0 -50.48 150.45 2.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.572 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -151.85 -20.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.41 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.76 133.35 53.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.8 121.48 0.75 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.96 161.94 35.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 1.0 110.595 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -152.69 118.41 5.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.408 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -99.83 135.32 41.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.409 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -79.04 -56.01 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.718 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 51.11 66.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.621 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -68.53 135.2 51.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.518 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.577 ' N ' HD22 ' A' ' 76' ' ' LEU . 3.7 mm? -81.45 133.13 35.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.786 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' HE ' ' H ' ' A' ' 78' ' ' GLU . 7.7 tpm_? -98.57 130.23 45.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.61 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 78' ' ' GLU . 55.5 mp0 -74.26 144.98 44.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.548 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -115.49 -172.7 2.2 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.991 0.424 . . . . 1.0 110.487 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.628 -179.851 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 12.3 m120 45.52 -161.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.524 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 71.9 m 56.05 84.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.675 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.562 HD22 ' N ' ' B' ' 204' ' ' LEU . 3.7 mm? -89.06 2.61 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.671 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 59.1 -173.43 0.1 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.558 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 65.05 36.08 92.59 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 17.7 mm -54.98 97.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.978 0.418 . . . . 1.0 110.507 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.451 ' OD2' ' O ' ' B' ' 208' ' ' ASP . 67.4 t0 -148.19 41.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.1 mtp -68.15 -173.06 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -121.53 176.77 16.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -135.74 127.31 28.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.956 0.408 . . . . 1.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 77.7 mt -134.12 147.44 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.487 HD12 ' N ' ' B' ' 213' ' ' LEU . 11.2 mp -100.71 133.09 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 1.0 110.347 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.735 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -133.15 140.49 47.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.563 179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.735 ' H ' HD23 ' B' ' 214' ' ' LEU . 41.1 p-10 -117.19 120.13 37.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.627 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 66.4 mt -123.73 148.26 46.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.66 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.6 m -59.36 150.93 24.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.457 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -61.41 -37.96 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.531 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -56.89 -35.45 68.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.635 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.02 -43.18 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.5 mt -55.14 -38.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -65.65 -37.88 87.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.366 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -65.6 -47.36 75.97 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.973 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.44 88.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.555 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -54.43 -45.23 72.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.594 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.64 -46.66 88.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . 0.45 ' N ' HD12 ' B' ' 227' ' ' LEU . 11.1 mp -67.49 -29.21 68.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.976 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' B' ' 232' ' ' ASN . 25.9 tt0 -68.98 -42.68 76.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.113 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 76.3 t -65.9 -42.47 92.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.021 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . 0.452 ' OE1' ' NH2' ' A' ' 55' ' ' ARG . 52.4 mt-30 -56.82 -47.41 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.875 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -86.15 -23.59 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.668 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' B' ' 228' ' ' GLU . 64.6 t30 61.83 60.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.549 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -146.05 158.65 48.15 Favored Pre-proline 0 C--O 1.223 -0.324 0 CA-C-O 121.148 0.499 . . . . 1.0 110.582 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.94 141.72 97.07 Favored 'Trans proline' 0 C--N 1.3 -2.024 0 C-N-CA 122.74 2.293 . . . . 1.0 112.193 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -60.92 -42.1 97.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.47 -37.24 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.467 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.72 -39.14 80.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.574 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 238' ' ' LEU . 83.6 mt -63.83 -41.79 97.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.599 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 239' ' ' LEU . 91.3 mt -62.39 -43.23 99.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.67 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.44 -42.76 96.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.196 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.11 -45.81 91.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.706 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.96 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.556 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.33 -51.92 38.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.635 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -53.94 -49.33 68.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.209 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -55.58 -41.03 72.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -63.97 -43.73 94.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.55 -33.66 74.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . 0.468 ' CD1' HE21 ' B' ' 252' ' ' GLN . 5.5 mm -61.46 -43.5 96.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.572 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . 0.568 ' C ' ' H ' ' B' ' 251' ' ' SER . 63.6 t30 -64.08 -30.71 71.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.25 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' B' ' 251' ' ' SER . 94.8 mm-40 -69.46 27.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.571 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . 0.568 ' H ' ' C ' ' B' ' 249' ' ' ASN . 1.7 p 76.12 7.53 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.616 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . 0.468 HE21 ' CD1' ' B' ' 248' ' ' ILE . 50.1 tt0 45.29 86.42 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.658 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 69.3 p -75.81 162.0 28.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.445 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -160.69 126.73 3.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.593 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 52.45 55.01 9.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.446 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 21.8 m -61.94 -44.85 95.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.625 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 89.6 p -159.25 156.21 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.578 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.98 150.63 43.97 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -43.8 133.56 7.9 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.627 2.218 . . . . 1.0 112.119 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -87.12 177.89 47.84 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 21.3 pt -117.37 141.25 36.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.969 0.414 . . . . 1.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -130.96 139.34 50.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.014 0.435 . . . . 1.0 110.552 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . 0.615 ' CD ' ' H ' ' B' ' 263' ' ' GLN . 0.3 OUTLIER -93.28 47.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.336 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -70.04 165.22 51.28 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 5.8 p -138.69 16.27 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.71 0.29 . . . . 1.0 110.508 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -65.34 134.99 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.423 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -155.58 -44.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.563 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 46.8 t0 43.59 77.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.596 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -154.52 75.44 0.23 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 270' ' ' VAL . 8.4 p -150.9 -5.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.39 . . . . 1.0 110.677 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -51.25 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.519 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -156.62 163.31 39.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.683 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . 0.591 ' CD ' ' H ' ' B' ' 273' ' ' GLN . 1.6 pm0 -99.5 154.09 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.33 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . 0.467 ' N ' ' CD ' ' B' ' 274' ' ' ARG . 11.1 mpt_? -68.58 140.44 55.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.502 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -95.46 102.88 14.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.561 ' N ' HD22 ' B' ' 276' ' ' LEU . 4.0 mm? -64.51 -39.86 94.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.717 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 62.5 83.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.522 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 280' ' ' TRP . 78.8 mt-10 -63.56 -27.85 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.541 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 58.06 -79.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.448 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . 0.51 ' N ' ' O ' ' B' ' 278' ' ' GLU . 88.8 t90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.8 t30 55.8 46.14 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.617 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m 55.16 88.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.482 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.0 tp -83.75 129.18 34.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.37 121.57 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.477 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.68 -174.21 39.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.688 -0.965 . . . . 1.0 110.688 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.93 115.65 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 120.959 0.409 . . . . 1.0 110.026 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.5 t0 59.84 47.35 10.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.544 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.3 mtp -60.68 170.1 1.58 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.422 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.98 173.53 16.77 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' HD2' HD12 ' B' ' 213' ' ' LEU . 58.9 ttp180 -147.84 137.62 22.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 1.0 110.517 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.569 HD12 ' CD1' ' B' ' 216' ' ' LEU . 55.1 mt -138.52 149.61 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.11 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 14' ' ' LEU . 1.2 tt -93.46 120.1 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 1.0 109.823 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.618 ' N ' HD23 ' A' ' 13' ' ' LEU . 42.5 tp -114.12 130.47 56.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 15' ' ' ASP . 45.9 p-10 -115.26 128.13 55.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.433 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.71 144.89 50.6 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.646 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -66.04 160.3 24.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.374 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -60.86 -37.46 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.369 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -60.26 -36.33 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.535 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.62 -43.32 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 1.0 110.658 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.4 mt -54.05 -38.13 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -64.58 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.123 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.97 -48.96 69.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.73 -40.85 96.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.554 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -55.8 -43.42 76.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.62 -41.93 95.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 1.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.87 -32.74 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 39.4 mt-10 -69.92 -39.93 75.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.693 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.9 t -67.48 -50.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.739 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -52.54 -48.9 65.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.443 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -89.12 -12.6 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.688 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 28' ' ' GLU . 40.3 m-80 58.99 30.84 20.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.442 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.29 157.42 41.15 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.406 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.47 156.27 61.84 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.627 2.218 . . . . 1.0 111.714 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 30.1 ptt180 -64.65 -44.65 89.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.498 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -48.02 -40.96 24.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.183 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -65.77 -38.89 90.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.126 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.32 -40.98 94.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.586 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.59 -46.61 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.636 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -60.22 -43.75 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.378 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.08 -42.86 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.54 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.11 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.113 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -68.33 -51.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.1 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -53.74 -48.17 69.92 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.843 -0.428 . . . . 1.0 109.843 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.11 -40.18 92.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.391 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -60.99 -41.57 96.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 52' ' ' GLN . 93.0 mt -61.28 -45.43 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.059 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -65.5 -41.08 93.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.794 0.331 . . . . 1.0 110.573 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.45 -44.44 87.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.775 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 53' ' ' THR . 68.2 m -78.29 -53.47 7.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.701 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' ILE . 53.1 tt0 54.03 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.543 ' N ' ' O ' ' A' ' 51' ' ' SER . 7.3 t -147.65 44.24 1.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.524 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.33 20.91 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.671 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 53.61 58.19 5.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.561 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.5 p -119.87 11.71 11.9 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -59.56 -43.29 93.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.472 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 m -80.51 149.39 68.26 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.559 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.43 147.55 71.47 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.713 2.275 . . . . 1.0 112.083 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.58 126.4 0.07 OUTLIER Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 pt -106.12 89.31 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.963 0.411 . . . . 1.0 110.487 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -147.77 155.23 41.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.444 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -144.15 82.6 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.88 -37.61 94.9 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' GLU . 1.1 t -58.08 -37.86 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 1.0 110.552 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 65' ' ' CYS . 84.3 tt0 51.62 101.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.429 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 52.83 -169.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.641 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -71.81 138.07 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.543 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.17 161.52 29.96 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.874 -0.89 . . . . 1.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.54 161.08 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.775 0.322 . . . . 1.0 110.446 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -80.21 98.69 7.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -61.77 -43.85 98.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -75.92 134.98 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -96.14 135.94 37.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.478 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -93.66 -3.84 51.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.627 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.56 135.25 49.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.383 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -152.25 134.74 15.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 80' ' ' TRP . 12.1 tm-20 -151.99 -51.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.552 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.434 ' O ' ' OXT' ' A' ' 80' ' ' TRP . 99.2 mt-10 51.84 82.87 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.664 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.461 ' N ' ' OE2' ' B' ' 278' ' ' GLU . 89.7 t90 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . 0.431 ' H ' ' ND2' ' B' ' 202' ' ' ASN . 4.1 p30 -86.2 106.84 17.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.586 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 85.9 p -163.03 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.684 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.533 ' N ' HD12 ' B' ' 204' ' ' LEU . 10.1 mp -63.13 -41.98 99.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.477 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -160.96 147.06 14.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -112.4 164.44 12.08 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.756 -0.938 . . . . 1.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 4.6 pt -93.8 93.56 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 1.0 110.437 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 51.1 37.39 17.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.515 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.3 mtp -97.95 121.3 39.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -68.01 140.19 35.72 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.687 -0.965 . . . . 1.0 110.687 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -97.04 134.16 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.928 0.394 . . . . 1.0 110.443 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 6.8 mm -132.75 139.82 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.559 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.599 HD22 ' N ' ' B' ' 213' ' ' LEU . 4.0 mm? -90.52 128.46 36.56 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.352 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 44.1 tp -112.73 127.01 56.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.436 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 47.7 p-10 -99.91 132.69 45.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.463 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.569 ' CD1' HD12 ' A' ' 12' ' ' ILE . 13.6 mt -134.78 -166.11 1.77 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.512 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 153.36 51.59 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -56.09 -39.42 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.34 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.88 -39.42 94.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.788 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 1.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.4 mt -53.02 -39.1 31.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.938 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.28 -39.57 92.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.16 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.02 -49.05 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.054 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . 0.438 ' O ' ' CD ' ' B' ' 228' ' ' GLU . 61.2 mt -60.93 -42.82 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.709 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -50.87 -42.76 59.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.271 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.17 -42.34 90.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.04 -0.356 . . . . 1.0 110.04 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . 0.404 ' N ' HD12 ' B' ' 227' ' ' LEU . 7.9 mp -67.17 -34.59 77.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.396 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' B' ' 232' ' ' ASN . 1.3 mp0 -68.38 -36.05 78.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.929 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.81 -51.83 62.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.606 -0.438 . . . . 1.0 111.147 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . 0.405 ' H ' ' HG2' ' B' ' 230' ' ' GLN . 6.9 pt20 -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.507 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -85.28 -17.93 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.723 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' B' ' 228' ' ' GLU . 55.7 t-20 51.69 45.87 27.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.199 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.0 mt -138.79 153.2 71.85 Favored Pre-proline 0 N--CA 1.464 0.267 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.895 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 153.04 76.66 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.614 2.209 . . . . 1.0 111.985 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.468 ' NH1' HD11 ' A' ' 12' ' ' ILE . 89.7 mtm180 -61.97 -44.94 95.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.542 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.16 -42.73 20.2 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.964 -0.294 . . . . 1.0 110.249 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.63 -39.79 91.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.98 0.419 . . . . 1.0 110.488 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.472 ' CD1' ' OE1' ' B' ' 228' ' ' GLU . 56.8 mt -67.49 -40.64 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.93 -45.77 93.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.481 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.54 -43.06 79.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.079 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 245' ' ' GLN . 95.8 mt-10 -67.53 -37.41 82.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.605 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.61 74.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.372 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.81 -52.59 52.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.413 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.8 -50.04 57.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.948 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' B' ' 241' ' ' GLU . 1.2 mp0 -60.57 -41.27 94.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.178 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.1 -46.08 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.468 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.538 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 87.4 mt -61.82 -46.53 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.279 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -63.37 -41.57 98.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 1.0 110.353 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -62.86 -43.49 98.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 33.4 t -142.29 77.43 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.565 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' B' ' 253' ' ' THR . 13.5 pt20 -74.44 -36.51 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.655 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . 0.423 ' O ' ' O ' ' B' ' 252' ' ' GLN . 65.8 p 47.65 98.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.58 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -158.71 -54.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 44.52 89.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.61 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 96.6 m 53.87 92.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.529 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 9.8 m -159.03 -156.04 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 4.8 t -142.23 71.35 22.43 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.455 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.74 -37.37 75.69 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.698 2.266 . . . . 1.0 111.998 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 88.86 111.06 1.17 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 18.9 mm -92.91 127.52 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 1.0 110.423 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -43.06 116.08 0.85 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.515 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 22.9 tm0? -63.52 -40.79 97.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.529 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 172.64 -173.2 45.39 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' B' ' 265' ' ' CYS . 18.6 t -76.58 69.64 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.778 0.323 . . . . 1.0 110.531 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -65.49 -39.33 91.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.326 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 42.0 74.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 51.1 t0 42.05 85.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.645 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -60.52 129.31 46.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.77 -0.932 . . . . 1.0 110.77 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 12.9 p -146.56 148.62 16.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.609 0.242 . . . . 1.0 110.528 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -141.39 156.81 45.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 1.0 110.369 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -71.3 135.26 47.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.451 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -66.89 -35.37 79.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.578 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -64.06 127.23 30.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.549 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -164.97 103.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 64.1 mt -108.45 129.03 55.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.861 0.362 . . . . 1.0 110.358 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -79.62 44.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.631 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 80' ' ' TRP . 43.9 tt0 57.26 78.75 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' B' ' 278' ' ' GLU . 98.2 mt-10 56.7 153.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.951 0.405 . . . . 1.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.425 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -62.26 -42.22 99.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.556 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 58.51 91.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.718 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.86 -42.65 99.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.714 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.96 -173.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.552 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.11 18.62 60.61 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.014 -0.834 . . . . 1.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.8 mt -88.05 105.33 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.026 0.441 . . . . 1.0 110.006 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 36.8 p-10 -86.54 8.2 23.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.706 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.6 mtp -111.76 -176.65 2.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.52 139.08 10.34 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -97.68 138.34 35.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.842 0.353 . . . . 1.0 110.417 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -130.79 146.5 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.306 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 13' ' ' LEU . 11.2 mp -102.04 126.37 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.386 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 14' ' ' LEU . 42.6 tp -124.09 134.64 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.566 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 16' ' ' LEU . 45.9 p-10 -96.08 122.47 38.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.5 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.2 mm? -109.33 -173.26 2.22 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.69 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -128.72 145.37 51.19 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.428 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -53.26 -38.49 63.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.38 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -67.26 -41.24 85.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.547 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.0 -44.31 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.649 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.8 mt -52.89 -38.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.892 -0.41 . . . . 1.0 109.892 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.23 -38.74 91.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.409 . . . . 1.0 110.417 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -66.22 -48.22 71.3 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.187 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.55 -42.73 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.8 t0 -56.82 -46.2 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.481 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.07 -47.58 85.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.65 -30.61 67.27 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.809 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 78.0 tt0 -70.53 -41.09 73.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.411 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 25' ' ' ASP . 65.0 t -65.11 -43.29 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.604 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.73 -40.31 92.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.712 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.961 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 58.45 38.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.483 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.52 153.83 72.88 Favored Pre-proline 0 C--O 1.226 -0.182 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.717 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.79 146.05 96.83 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.65 2.233 . . . . 1.0 112.071 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.562 HH22 HD12 ' B' ' 212' ' ' ILE . 59.9 ttp180 -60.33 -43.55 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.66 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.62 -40.32 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.396 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -66.4 -39.2 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.498 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.14 -41.36 94.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.843 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.51 -44.32 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.725 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.68 -42.64 97.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.434 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.97 -37.91 87.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.496 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.99 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.55 -52.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.22 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -53.51 -48.97 68.52 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.1 -40.07 92.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.497 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.415 ' OH ' ' NH2' ' B' ' 231' ' ' ARG . 89.5 t80 -61.42 -42.34 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.7 -42.92 94.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.4 -47.07 88.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 1.0 110.173 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -65.06 -33.43 76.03 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.319 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.609 ' NE2' HH21 ' B' ' 231' ' ' ARG . 2.5 tp-100 -64.45 -40.6 96.02 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 120.902 -0.319 . . . . 1.0 110.535 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 52' ' ' GLN . 46.8 t -74.33 170.92 14.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' ALA . 5.7 tp-100 56.0 113.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.287 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m 66.99 -64.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.507 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . 62.68 111.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.506 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -140.74 101.41 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.376 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.3 m -128.64 111.31 13.05 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.519 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.2 p -82.27 161.04 22.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.461 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.39 151.66 37.12 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.707 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.53 148.9 87.98 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.756 2.304 . . . . 1.0 112.048 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.55 95.23 0.46 Allowed Glycine 0 N--CA 1.463 0.482 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 61' ' ' ILE . 20.4 tt -138.03 132.05 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.919 0.39 . . . . 1.0 110.468 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -158.65 134.46 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.517 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 1.1 pm0 -142.98 117.64 9.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.386 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' CYS . . . -65.55 -39.39 95.52 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.204 -0.758 . . . . 1.0 111.204 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 64' ' ' GLY . 55.7 m 54.62 165.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 1.0 110.516 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -156.73 157.71 35.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.482 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -143.93 137.9 28.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.397 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -153.51 89.01 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.53 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.78 59.68 0.48 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.24 -25.31 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 1.0 110.657 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 59.28 89.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.47 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -104.32 136.11 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.029 0.442 . . . . 1.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' A' ' 74' ' ' ARG . 79.4 mt-30 -137.16 164.73 27.77 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.335 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 73' ' ' GLN . 79.7 mtp85 58.21 139.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.631 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 76' ' ' LEU . 62.0 pttt -107.71 -3.88 18.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.673 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 75' ' ' LYS . 66.5 mt 53.43 107.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.503 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -153.24 69.03 0.81 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.453 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -91.9 -9.12 44.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.608 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -114.47 136.94 52.46 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.982 0.42 . . . . 1.0 110.523 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.469 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 77.9 mtp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -97.98 7.06 46.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 86.3 p -65.76 157.78 29.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 63.3 mt -91.36 125.7 36.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.434 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -72.51 142.4 48.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.503 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 165.93 134.6 1.7 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.769 -0.932 . . . . 1.0 110.769 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . 0.454 HG22 ' H ' ' B' ' 209' ' ' MET . 88.7 mt -110.87 116.71 53.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.976 0.417 . . . . 1.0 110.281 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' B' ' 208' ' ' ASP . 66.0 t0 -107.15 36.92 2.51 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.442 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . 0.454 ' H ' HG22 ' B' ' 207' ' ' ILE . 81.9 mmm -106.19 123.34 47.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.309 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -71.13 -176.17 22.83 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.72 -0.952 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -126.91 123.04 36.29 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.666 0.269 . . . . 1.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.562 HD12 HH22 ' A' ' 35' ' ' ARG . 43.4 mm -117.68 151.1 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.67 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 6.6 tp -107.52 124.46 49.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.7 tp -117.69 131.95 56.55 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.662 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -112.13 123.18 49.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.612 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 57.0 mt -133.85 145.42 49.67 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.754 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.1 m -58.32 152.87 16.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.477 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -60.46 -29.33 68.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.07 -36.87 84.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.88 -42.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.504 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.6 mt -54.64 -37.62 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.975 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -65.6 -36.62 84.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.152 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -66.52 -47.14 73.86 Favored 'General case' 0 CA--C 1.527 0.059 0 CA-C-O 121.145 0.497 . . . . 1.0 109.919 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.19 -41.72 94.3 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.625 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . 0.406 ' CG ' HH21 ' B' ' 235' ' ' ARG . 67.9 t0 -59.06 -46.29 88.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.532 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -61.63 -40.42 94.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.461 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.73 -27.46 61.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.741 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.22 -42.35 75.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.903 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.72 -43.84 95.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.466 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.73 -40.15 94.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.668 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.711 HH11 HD22 ' B' ' 238' ' ' LEU . 99.6 mtt180 -82.46 -20.77 36.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 36.2 m120 55.69 40.5 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.8 mt -132.89 152.9 80.66 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.936 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.89 142.15 93.08 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.662 2.241 . . . . 1.0 112.308 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.406 HH21 ' CG ' ' B' ' 225' ' ' ASP . 84.2 mtt85 -61.65 -41.96 98.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.654 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -49.44 -41.55 40.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.392 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . 0.417 ' O ' ' OD2' ' B' ' 237' ' ' ASP . 65.4 t0 -68.06 -39.2 83.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.552 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.711 HD22 HH11 ' B' ' 231' ' ' ARG . 88.7 mt -65.36 -42.98 92.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.453 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.12 -41.84 99.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.66 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . 0.487 HH21 ' CG ' ' A' ' 15' ' ' ASP . 43.9 ttm180 -62.48 -43.63 98.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 -37.93 78.31 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.548 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.63 97.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.124 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.8 t -64.2 -54.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.23 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -52.26 -47.57 65.72 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.162 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -63.81 -40.81 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.788 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . 0.478 ' CE2' ' CD ' ' B' ' 250' ' ' GLN . 41.3 t80 -59.68 -43.78 93.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.64 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.84 -39.7 92.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.003 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.76 -45.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -65.36 -41.1 94.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 1.0 110.469 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . 0.478 ' CD ' ' CE2' ' B' ' 246' ' ' TYR . 77.2 mt-30 -63.49 -43.04 98.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.743 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 55.1 m -81.27 -174.19 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' B' ' 254' ' ' ALA . 77.3 mt-30 49.39 -178.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.43 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 3.7 m 61.37 -71.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.673 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 252' ' ' GLN . . . 54.28 101.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.418 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.555 ' C ' ' H ' ' B' ' 257' ' ' SER . 99.8 mtt180 -93.18 99.28 11.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.575 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . 0.533 ' C ' ' H ' ' B' ' 258' ' ' VAL . 2.5 m 68.65 -17.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.668 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . 0.555 ' H ' ' C ' ' B' ' 255' ' ' ARG . 3.9 t 64.95 -8.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.677 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . 0.711 HG13 ' O ' ' B' ' 258' ' ' VAL . 10.7 p -173.29 77.41 0.4 Allowed Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.178 0.513 . . . . 1.0 110.277 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.33 -37.31 71.16 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.652 2.235 . . . . 1.0 112.016 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 86.63 91.81 0.93 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.31 -43.47 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.737 0.303 . . . . 1.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -71.66 140.08 49.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.38 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -144.76 -54.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.552 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -79.65 168.98 53.08 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 8.9 m -134.83 132.63 38.87 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.885 0.374 . . . . 1.0 110.462 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -78.38 123.4 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.473 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -92.66 118.74 31.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -82.83 167.96 17.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -171.1 75.39 0.1 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . 0.54 HG23 ' H ' ' B' ' 271' ' ' GLU . 0.9 OUTLIER -60.56 -99.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.675 0.274 . . . . 1.0 110.477 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . 0.54 ' H ' HG23 ' B' ' 270' ' ' VAL . 72.9 mm-40 55.32 91.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.421 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -78.42 139.44 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.607 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -79.86 120.91 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.452 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -142.02 24.5 1.99 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.627 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -66.97 135.53 53.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.264 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' B' ' 278' ' ' GLU . 15.3 tp -141.83 89.28 2.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.697 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 41.06 -89.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.718 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' B' ' 276' ' ' LEU . 80.6 mm-40 -63.81 139.07 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.544 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.38 -31.66 72.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.602 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpt? . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m120 56.08 32.29 19.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -158.69 149.24 19.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.536 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -87.23 136.73 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 1.0 110.272 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.9 89.73 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.637 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' A' ' 8' ' ' ASP . . . -154.28 30.63 0.71 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 7' ' ' ILE . 95.9 mt -63.63 3.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 1.0 110.633 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 6' ' ' GLY . 34.3 t0 60.01 26.32 15.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.351 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 78.7 mtp -140.15 125.81 19.26 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.523 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.76 142.86 48.44 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.4 HH11 HD12 ' B' ' 213' ' ' LEU . 64.0 ttm-85 -99.87 117.81 34.96 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.041 0.448 . . . . 1.0 110.14 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -115.75 140.14 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-O 121.065 0.459 . . . . 1.0 110.594 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 13' ' ' LEU . 11.3 mp -98.64 125.89 44.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.032 0.444 . . . . 1.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.0 tp -124.87 137.01 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.347 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 30.9 p-10 -125.99 136.07 52.56 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 110.894 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp -135.71 154.64 51.2 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.614 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -60.06 149.45 32.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.361 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -56.26 -39.62 72.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.383 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.65 -37.3 75.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.581 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.2 -43.95 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.575 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.28 -38.62 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.592 -0.521 . . . . 1.0 109.592 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.14 -37.48 87.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.477 ' O ' HD13 ' A' ' 27' ' ' LEU . 86.1 mt-30 -66.55 -46.95 74.42 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.73 -41.73 99.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.606 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.66 -47.66 84.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.94 -44.84 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 23' ' ' GLN . 6.7 mp -69.31 -30.95 69.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.863 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -67.55 -42.21 83.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.482 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.64 -43.34 98.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.626 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.95 -43.24 96.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.965 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HB2' HD11 ' A' ' 33' ' ' LEU . 30.9 mmt180 -69.35 -37.15 77.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 31' ' ' ARG . 2.7 m120 75.19 51.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -156.2 158.0 31.39 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.18 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 145.84 93.46 Favored 'Trans proline' 0 C--N 1.299 -2.061 0 C-N-CA 122.51 2.14 . . . . 1.0 112.295 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 35.1 ptt180 -61.18 -41.71 97.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.419 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.24 -40.21 33.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.164 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.68 -38.04 89.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.287 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.7 mt -66.98 -41.88 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.017 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.82 -45.23 90.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.877 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.32 -43.01 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.34 -42.97 95.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.814 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.69 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.498 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -69.16 -52.93 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.577 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -55.77 -48.17 75.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 1.0 109.937 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -56.04 -40.94 74.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.729 0.3 . . . . 1.0 110.621 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.62 -39.09 90.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.721 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.74 -40.11 91.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.59 -46.85 94.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.321 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.501 ' C ' ' H ' ' A' ' 51' ' ' SER . 40.7 t30 -64.83 -52.17 58.17 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.643 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.511 ' OE1' HD22 ' B' ' 227' ' ' LEU . 3.7 pp0? -74.4 22.27 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.983 0.421 . . . . 1.0 110.546 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 49' ' ' ASN . 27.4 p -89.68 -16.76 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.462 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -138.62 136.63 36.14 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.069 0.461 . . . . 1.0 110.533 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.5 p -100.77 114.18 27.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.413 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 55' ' ' ARG . . . -163.94 158.47 19.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.629 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' ALA . 82.9 mtp180 45.41 95.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.437 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.3 p -79.8 130.38 35.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.512 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.9 t -98.16 179.0 4.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 1.0 110.448 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.1 m -135.82 58.28 22.99 Favored Pre-proline 0 N--CA 1.462 0.163 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.5 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.72 -16.44 37.7 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.918 2.412 . . . . 1.0 112.162 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.36 146.44 49.56 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 110.667 -0.973 . . . . 1.0 110.667 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.5 mt -106.18 124.89 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 121.005 0.431 . . . . 1.0 110.309 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -86.48 -51.33 6.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -61.72 136.0 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.131 0.491 . . . . 1.0 110.703 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.15 162.89 21.0 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.7 t -84.71 125.36 32.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 67' ' ' GLU . 1.9 pp20? -71.47 138.45 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.539 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 72.4 mm-40 -68.45 130.48 43.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.522 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -71.74 -5.61 35.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.657 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.85 151.21 21.04 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' GLU . 10.3 p -150.95 -14.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.738 0.304 . . . . 1.0 110.632 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 70' ' ' VAL . 44.2 tt0 56.71 111.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -82.24 161.49 22.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.588 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 73' ' ' GLN . 1.7 mp0 -66.35 -29.63 69.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.616 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 57.2 76.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.098 0.475 . . . . 1.0 110.4 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -95.44 117.45 30.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.736 HD23 ' N ' ' A' ' 76' ' ' LEU . 1.3 pt? -164.44 146.5 8.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.524 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 mmp_? -76.49 -77.04 0.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.179 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -172.79 94.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.513 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 54.04 88.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.47 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.512 179.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 95.9 mtp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . 0.44 ' ND2' ' H ' ' B' ' 202' ' ' ASN . 1.6 p30 -79.99 -100.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 1.0 110.64 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 89.8 p -150.86 127.62 10.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.723 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.13 142.25 36.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.307 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -97.67 110.59 23.13 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.037 0.446 . . . . 1.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 130.73 38.14 0.3 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 4.7 pt -87.65 94.1 4.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.976 0.417 . . . . 1.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' B' ' 209' ' ' MET . 63.8 t0 -113.19 33.46 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . 0.44 ' O ' ' O ' ' B' ' 208' ' ' ASP . 73.0 mtp 52.18 170.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 1.0 110.492 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -107.57 -165.34 21.77 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -155.04 124.33 6.34 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.029 0.442 . . . . 1.0 110.369 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.437 ' C ' HD22 ' B' ' 213' ' ' LEU . 57.5 mt -138.03 145.8 28.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.077 0.465 . . . . 1.0 110.505 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.5 HD22 ' N ' ' B' ' 213' ' ' LEU . 4.1 mm? -98.83 118.48 35.66 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.963 0.411 . . . . 1.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 214' ' ' LEU . 34.8 tp -114.25 130.01 56.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.494 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -105.79 122.04 45.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.917 0.389 . . . . 1.0 110.705 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.7 mt -130.73 137.43 49.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 6.1 m -58.44 158.03 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -61.31 -38.63 87.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.66 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -59.01 -39.13 80.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.769 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.4 t -65.7 -44.41 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.12 -36.45 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.787 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.77 -36.81 84.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.33 -48.49 67.39 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.92 -42.31 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -57.66 -43.01 84.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.734 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.65 -41.32 94.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.55 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . 0.511 HD22 ' OE1' ' A' ' 50' ' ' GLN . 49.4 mt -73.08 -29.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.839 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -67.43 -46.29 73.56 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 94.5 t -68.26 -42.41 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -48.08 -32.14 6.42 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 14.9 mmm180 -102.99 -88.93 0.39 Allowed 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.404 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 231' ' ' ARG . 6.5 m-20 165.8 19.38 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 56.0 mt -127.31 147.59 62.73 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.79 0.329 . . . . 1.0 110.981 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.85 170.5 18.65 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 122.817 2.345 . . . . 1.0 111.83 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' B' ' 236' ' ' ALA . 34.5 ptt-85 -63.98 -42.24 97.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.336 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' B' ' 235' ' ' ARG . . . -48.09 -38.98 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.182 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -72.51 -40.3 66.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.933 0.397 . . . . 1.0 110.782 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -37.19 81.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.371 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' B' ' 239' ' ' LEU . 85.3 mt -61.06 -41.86 97.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.61 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.91 -43.6 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.27 -42.0 76.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.26 86.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.985 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.17 -51.57 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.23 -0.441 . . . . 1.0 109.828 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.65 -46.43 70.55 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -63.76 -40.1 95.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.388 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -61.36 -42.86 99.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.225 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 247' ' ' LEU . 94.6 mt -59.92 -43.71 94.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.304 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.18 -44.57 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -63.41 -27.42 69.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.018 -0.364 . . . . 1.0 110.018 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -82.45 -41.27 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . 0.412 ' C ' ' N ' ' B' ' 253' ' ' THR . 34.6 m -70.26 -40.21 74.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.719 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 54.79 10.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.552 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . 0.412 ' N ' ' C ' ' B' ' 251' ' ' SER . 14.8 t -147.95 163.03 38.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.588 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 52.69 70.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.515 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.452 ' O ' ' OG1' ' B' ' 256' ' ' THR . 41.0 ttm180 -95.81 110.46 22.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.235 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 255' ' ' ARG . 19.6 m -168.24 67.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.554 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 83.5 p -77.49 164.37 25.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.9 m -148.32 72.81 10.96 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.486 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -61.39 145.92 97.71 Favored 'Trans proline' 0 C--N 1.298 -2.109 0 C-N-CA 122.8 2.333 . . . . 1.0 111.975 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 56.52 68.65 1.58 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 36.3 pt -72.34 -20.74 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.934 0.397 . . . . 1.0 110.735 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -81.3 122.24 27.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.518 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . 0.403 ' NE2' ' H ' ' B' ' 263' ' ' GLN . 3.3 mp0 -84.19 128.91 34.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.536 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -175.9 -148.78 7.08 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 15.5 t -71.61 81.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.031 0.443 . . . . 1.0 110.521 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -102.03 91.22 4.24 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.328 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 52.4 68.18 0.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.446 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -149.13 16.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.568 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -72.12 102.57 1.17 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.37 -45.84 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.377 . . . . 1.0 110.464 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' B' ' 273' ' ' GLN . 0.0 OUTLIER -114.55 -176.58 2.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.386 -179.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 36.3 t80 59.65 -72.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.279 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' B' ' 271' ' ' GLU . 88.0 mt-30 -63.3 138.32 58.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.578 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -73.24 148.43 43.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 1.0 110.561 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -134.03 142.57 47.65 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.125 0.488 . . . . 1.0 110.439 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 72.7 mt -99.65 102.42 13.9 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.514 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -67.02 -39.86 87.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.802 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' B' ' 279' ' ' GLU . 96.3 mt-10 -57.47 -79.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.591 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' B' ' 278' ' ' GLU . 82.6 tt0 54.72 107.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.568 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 86.4 m95 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.902 -1.047 . . . . 1.0 110.597 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.29 40.04 30.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -80.5 -52.91 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 4' ' ' LEU . 11.3 mp -95.38 132.58 40.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 1.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.05 61.15 1.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.495 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.43 157.6 52.06 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.401 HG21 HD21 ' B' ' 218' ' ' ASN . 16.0 mm -99.39 104.79 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.061 0.458 . . . . 1.0 110.315 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' A' ' 9' ' ' MET . 63.9 t0 -103.33 78.31 1.6 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.597 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.504 ' O ' ' O ' ' A' ' 8' ' ' ASP . 0.9 OUTLIER 55.01 121.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.218 0.532 . . . . 1.0 110.7 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -46.35 -24.3 1.55 Allowed Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' GLY . 67.2 ttp85 59.28 121.71 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.942 0.401 . . . . 1.0 110.301 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 13' ' ' LEU . 91.0 mt -129.67 155.87 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.017 0.437 . . . . 1.0 110.395 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' O ' HD22 ' A' ' 14' ' ' LEU . 12.0 mt -102.63 129.06 49.09 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.251 0.548 . . . . 1.0 110.643 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.507 HD22 ' O ' ' A' ' 13' ' ' LEU . 3.7 mm? -117.36 133.5 55.9 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.941 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -111.89 128.71 56.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.614 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.48 143.15 48.63 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.797 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -62.29 151.85 35.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.657 HD22 ' N ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -58.23 -24.53 59.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.452 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.657 ' N ' HD22 ' A' ' 18' ' ' ASN . 80.3 mm-40 -71.34 -39.91 71.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.671 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.61 -42.1 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.708 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.3 mt -56.52 -39.67 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -64.45 -35.39 80.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.361 -0.381 . . . . 1.0 109.999 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.14 -45.95 68.81 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 121.009 0.433 . . . . 1.0 109.85 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.4 -42.92 98.81 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 29' ' ' VAL . 66.4 t0 -57.11 -48.7 77.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.684 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -60.69 -47.56 85.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.82 -32.41 73.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.723 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -65.62 -38.9 90.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.878 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 25' ' ' ASP . 71.0 t -62.21 -42.09 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.773 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.544 ' C ' ' HE ' ' A' ' 31' ' ' ARG . 98.1 mt-30 -64.82 -44.29 90.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.026 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.717 ' HE ' ' N ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -74.16 -24.91 59.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.781 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 57.08 46.22 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 1.0 110.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -140.52 160.92 57.42 Favored Pre-proline 0 C--O 1.219 -0.515 0 CA-C-O 121.118 0.485 . . . . 1.0 109.98 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -60.96 142.55 97.87 Favored 'Trans proline' 0 C--N 1.299 -2.065 0 C-N-CA 122.86 2.373 . . . . 1.0 113.26 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -61.06 -41.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.518 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.08 -38.35 24.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.445 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.51 -38.47 84.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.529 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.652 ' HG ' HD21 ' A' ' 33' ' ' LEU . 39.7 mt -65.7 -44.59 85.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.873 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.59 -44.42 90.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.804 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.06 -44.11 82.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.188 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.12 -39.62 94.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.532 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.94 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.263 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.08 -52.49 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -52.56 -44.56 65.94 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -62.39 -39.85 94.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.297 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -62.21 -41.79 98.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 1.0 110.198 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.73 -41.95 99.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.03 -44.66 98.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.246 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 53' ' ' THR . 64.9 t30 -65.72 -35.41 80.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.237 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.82 24.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.486 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 52' ' ' GLN . 18.5 p -140.92 -54.29 0.49 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.603 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' N ' ' OG ' ' A' ' 51' ' ' SER . 97.3 mm-40 -64.48 -44.37 91.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.674 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.571 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 6.7 p -143.29 -175.49 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.544 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 53' ' ' THR . . . 74.08 -64.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 46.53 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.476 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 54' ' ' ALA . 2.6 t -81.45 171.43 14.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.466 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -62.55 140.71 58.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.466 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.67 143.64 15.83 Favored Pre-proline 0 N--CA 1.443 -0.82 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.212 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -45.97 133.23 14.49 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.554 2.17 . . . . 1.0 112.706 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.53 -61.44 0.52 Allowed Glycine 0 N--CA 1.464 0.529 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 pt -106.11 143.03 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.953 0.406 . . . . 1.0 110.579 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.518 ' O ' ' N ' ' A' ' 64' ' ' GLY . 98.0 m95 -83.83 5.38 25.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.551 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 62.04 -71.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.469 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 62' ' ' TRP . . . 82.3 94.12 0.54 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.5 t -82.59 133.58 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 1.0 110.426 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -129.23 156.17 44.39 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.466 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -55.52 141.72 35.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.617 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -143.24 117.2 9.39 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.428 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.4 -156.87 37.76 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.691 -0.964 . . . . 1.0 110.691 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 72' ' ' TYR . 68.3 t -121.48 127.54 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.878 0.371 . . . . 1.0 110.321 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -80.02 -40.11 28.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.767 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.483 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 89.7 t80 -128.72 146.4 50.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.087 0.47 . . . . 1.0 110.458 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.479 ' CD ' ' N ' ' A' ' 73' ' ' GLN . 2.5 pm0 -146.71 163.47 35.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.275 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -128.95 149.27 50.87 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.425 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -90.56 140.86 29.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.434 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 pp -78.42 -19.04 54.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.303 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -133.95 126.62 30.73 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.296 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -157.53 110.08 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.458 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 1.7 pm0 -108.36 60.32 0.61 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.434 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.542 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' B' ' 201' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' B' ' 204' ' ' LEU . 36.8 t-20 -134.97 126.48 28.68 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.543 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 1.9 t 72.17 -27.19 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.7 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' B' ' 202' ' ' ASN . 7.1 tp -61.89 -42.64 99.32 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.446 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -66.01 140.1 58.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.259 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -130.83 57.77 0.72 Allowed Glycine 0 N--CA 1.465 0.597 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 84.4 mt -105.54 107.58 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.007 0.432 . . . . 1.0 110.176 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -151.78 85.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.544 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 76.8 mmm -74.15 169.26 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.341 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -117.4 -176.44 17.43 Favored Glycine 0 N--CA 1.465 0.598 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -141.33 127.12 19.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.069 0.461 . . . . 1.0 110.533 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 93.9 mt -135.59 140.26 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.242 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.549 HD12 ' N ' ' B' ' 213' ' ' LEU . 9.7 mp -98.87 130.29 45.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.298 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.717 HD13 ' N ' ' B' ' 215' ' ' ASP . 0.2 OUTLIER -123.36 135.16 54.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.092 179.449 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.717 ' N ' HD13 ' B' ' 214' ' ' LEU . 4.3 m-20 -95.49 119.62 34.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.675 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 9' ' ' MET . 3.5 mm? -109.13 -169.71 1.53 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.898 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 3.2 t -130.63 149.58 52.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . 0.401 HD21 HG21 ' A' ' 7' ' ' ILE . 7.0 m-80 -56.76 -38.52 72.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.347 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.9 -41.95 90.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.0 t -69.31 -45.01 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.604 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 89.9 mt -53.19 -35.17 22.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.269 -0.423 . . . . 1.0 109.877 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -66.31 -39.01 89.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.024 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.25 -46.87 78.8 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.994 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . 0.446 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 89.6 mt -63.76 -42.27 97.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.668 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -57.33 -46.97 82.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.405 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -61.47 -45.93 92.19 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.433 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.91 -34.1 77.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.819 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' B' ' 228' ' ' GLU . 0.0 OUTLIER -65.61 -41.76 92.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.746 -179.442 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.14 -33.59 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.935 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.48 -37.01 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.31 0.381 . . . . 1.0 110.104 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 57.3 mtm180 -105.35 -88.49 0.44 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.677 -0.409 . . . . 1.0 110.566 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.551 ' C ' HD12 ' B' ' 233' ' ' LEU . 22.9 t30 168.22 18.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.601 0.563 . . . . 1.0 110.386 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.551 HD12 ' C ' ' B' ' 232' ' ' ASN . 11.3 mp -111.27 151.22 43.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.774 -177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.35 159.39 49.52 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.641 2.227 . . . . 1.0 111.94 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.5 ptt180 -64.98 -44.54 89.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.712 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.98 -39.19 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.249 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.88 -39.22 76.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.963 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.466 HD21 HH21 ' B' ' 231' ' ' ARG . 21.0 mt -68.3 -39.29 82.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.654 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.09 -42.71 99.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.488 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 -60.95 -41.41 96.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.279 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.05 -37.94 89.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.686 0.279 . . . . 1.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.49 98.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.204 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.22 -52.36 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.157 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -53.65 -48.97 68.9 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.57 -40.59 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.433 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . 0.45 ' O ' ' OE1' ' B' ' 250' ' ' GLN . 76.3 t80 -60.92 -42.8 98.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.531 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.87 -40.39 88.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.944 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.54 -44.69 99.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 123.36 0.413 . . . . 1.0 110.112 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . 0.606 ' C ' ' H ' ' B' ' 251' ' ' SER . 60.5 t-20 -63.38 -36.23 83.02 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.97 -0.382 . . . . 1.0 109.97 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' B' ' 251' ' ' SER . 2.9 mp0 -65.55 37.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . 0.606 ' H ' ' C ' ' B' ' 249' ' ' ASN . 0.9 OUTLIER 84.49 -87.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 119.322 -0.37 . . . . 1.0 110.132 -178.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' B' ' 251' ' ' SER . 32.7 tt0 166.58 124.84 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 123.427 0.455 . . . . 1.0 110.098 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 12.0 m -100.48 96.53 7.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.849 0.356 . . . . 1.0 110.612 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -130.56 120.68 24.42 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.036 0.446 . . . . 1.0 110.424 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -99.11 41.11 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.304 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 59.8 m -97.9 119.24 36.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.993 0.425 . . . . 1.0 110.333 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 31.2 p -159.16 161.62 36.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.53 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.4 71.45 21.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.78 141.85 98.26 Favored 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.79 2.327 . . . . 1.0 111.94 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 143.5 -170.31 25.63 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.74 -0.944 . . . . 1.0 110.74 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . 0.474 HG22 ' H ' ' B' ' 263' ' ' GLN . 96.5 mt -77.61 136.76 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 1.0 110.724 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -55.95 -43.82 77.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.352 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . 0.474 ' H ' HG22 ' B' ' 261' ' ' ILE . 99.4 mt-30 -96.03 58.73 1.91 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.279 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -54.19 125.72 34.42 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 2.3 p -106.87 3.79 26.67 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.611 0.243 . . . . 1.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -56.78 140.49 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.514 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -76.82 162.54 27.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.675 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . 0.445 ' O ' ' OD2' ' B' ' 268' ' ' ASP . 44.4 p-10 -70.59 115.82 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.042 0.449 . . . . 1.0 110.485 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 149.6 53.73 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.44 133.25 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 1.0 110.476 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 272' ' ' TYR . 12.7 pt-20 -149.71 -166.21 2.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.596 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . 0.441 ' O ' ' O ' ' B' ' 271' ' ' GLU . 71.4 t80 56.85 114.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.441 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' B' ' 275' ' ' LYS . 5.4 tp-100 -65.1 124.72 22.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.469 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -52.61 84.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.618 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 273' ' ' GLN . 37.3 ttmt -151.23 107.6 3.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.563 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 276' ' ' LEU . 9.3 mp 43.15 97.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.526 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.65 -41.83 99.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -164.42 -32.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.318 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -142.61 163.27 33.26 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.479 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 4.4 m0 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.518 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mmm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.76 -40.04 94.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.56 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -151.94 160.14 43.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 6' ' ' GLY . 47.0 mt 57.26 178.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.45 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.78 -71.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.663 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . 68.08 -124.67 20.4 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.799 -0.921 . . . . 1.0 110.799 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.5 mt -100.67 111.02 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.433 . . . . 1.0 110.232 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -133.33 87.91 2.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.648 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.7 mtp 55.34 -169.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.366 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.59 128.28 7.75 Favored Glycine 0 N--CA 1.466 0.665 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.59 139.64 38.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.955 0.407 . . . . 1.0 110.763 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 13' ' ' LEU . 96.5 mt -139.71 155.51 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.425 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' N ' HG22 ' A' ' 12' ' ' ILE . 33.3 tp -119.34 125.49 49.17 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.8 tp -121.51 131.12 53.96 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.544 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -108.38 117.27 33.71 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.708 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' O ' ' A' ' 17' ' ' SER . 60.1 mt -132.01 145.02 51.19 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.745 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 16' ' ' LEU . 75.7 m -55.45 -158.59 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -110.96 -27.84 8.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.673 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -67.76 -29.71 68.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.288 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.35 -43.61 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.476 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.38 -36.57 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -66.35 -37.91 86.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.218 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -65.43 -48.61 72.17 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.98 -39.42 85.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.7 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 29' ' ' VAL . 22.8 t70 -55.82 -42.12 75.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.554 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.0 -43.15 99.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.4 mp -75.98 -29.27 58.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.653 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' ASN . 15.6 tm-20 -75.48 -40.22 57.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.835 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 25' ' ' ASP . 42.3 t -62.18 -50.91 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.648 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -58.32 -44.41 88.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.29 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.516 ' NH1' ' OH ' ' B' ' 246' ' ' TYR . 90.1 mtt180 -72.64 -34.47 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.975 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLU . 13.0 t-20 63.48 52.13 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 15.9 mt -139.61 154.4 71.23 Favored Pre-proline 0 C--O 1.222 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.3 145.46 93.33 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.647 2.231 . . . . 1.0 112.273 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -60.77 -47.56 85.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.829 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.94 -42.06 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.391 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -64.79 -38.72 91.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.821 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.55 -40.55 89.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.799 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.84 -47.69 82.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.868 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.8 ttm-85 -60.45 -42.52 96.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.4 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -68.46 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.804 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.16 93.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.405 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.59 -53.72 32.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -50.58 -45.23 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.048 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -56.57 -40.78 75.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.39 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.27 -42.69 99.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.26 -39.26 86.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.666 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.74 -44.91 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.12 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -61.84 -39.92 93.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.168 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -62.23 -42.26 99.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.592 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -50.15 -39.06 42.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.393 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.507 ' C ' ' H ' ' A' ' 54' ' ' ALA . 51.9 tt0 -50.99 160.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 54' ' ' ALA . 76.5 p -72.23 18.24 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.691 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' A' ' 52' ' ' GLN . . . 58.97 147.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.533 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -142.75 -57.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.679 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 58' ' ' VAL . 17.2 m -63.38 -45.18 92.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.438 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.726 ' O ' ' O ' ' A' ' 58' ' ' VAL . 2.3 p 72.58 -18.98 0.32 Allowed 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.832 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.726 ' O ' ' O ' ' A' ' 57' ' ' SER . 19.2 m 43.93 151.73 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.694 0 O-C-N 124.248 0.967 . . . . 1.0 111.278 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.72 139.71 31.05 Favored 'Trans proline' 0 C--N 1.291 -2.473 0 C-N-CA 121.693 1.595 . . . . 1.0 112.184 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.5 115.53 0.65 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.861 -0.895 . . . . 1.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.7 tt -140.53 133.24 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 1.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -87.39 118.85 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.542 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -152.09 124.65 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.518 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.3 167.25 34.78 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.6 p -170.61 165.17 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 1.0 110.524 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 49.02 76.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.519 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.66 -97.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.6 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -167.45 158.12 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.562 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.82 103.74 3.09 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.23 -28.57 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 1.0 110.626 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -63.12 -36.41 83.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.47 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.1 t80 41.72 86.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.622 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -71.56 139.9 49.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.545 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -85.24 61.24 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.88 -41.1 97.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.784 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 76' ' ' LEU . 9.6 mp -64.57 -93.94 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.454 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -76.04 132.94 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.496 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -158.36 165.37 34.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.388 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -138.75 -54.33 0.6 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.607 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.3 t90 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.946 -1.026 . . . . 1.0 110.509 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 55.71 34.26 22.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.418 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . 0.432 ' O ' ' O ' ' B' ' 204' ' ' LEU . 70.6 m -72.89 -6.64 46.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.619 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' B' ' 205' ' ' ALA . 49.9 tp 58.85 147.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.733 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' B' ' 204' ' ' LEU . . . 59.97 132.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.463 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -80.23 143.62 25.17 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.21 124.17 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.352 . . . . 1.0 110.322 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' B' ' 209' ' ' MET . 99.3 m-20 55.58 73.4 0.43 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.636 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . 0.409 ' O ' ' O ' ' B' ' 208' ' ' ASP . 43.7 mmm -48.73 177.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.304 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -100.97 -14.58 30.9 Favored Glycine 0 N--CA 1.463 0.449 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' B' ' 210' ' ' GLY . 71.7 ttt180 56.26 126.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.152 0.501 . . . . 1.0 110.472 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.402 ' C ' HD12 ' B' ' 213' ' ' LEU . 18.4 mt -141.01 142.06 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.46 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.546 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.3 mp -96.8 136.35 37.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.306 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 54.6 tp -133.0 138.15 46.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.609 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 215' ' ' ASP . 42.5 p-10 -123.45 122.36 38.04 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.655 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 94.6 mt -125.46 153.52 43.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.8 m -65.75 158.51 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.338 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.99 -39.56 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.584 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . 0.554 ' O ' ' NE2' ' B' ' 223' ' ' GLN . 59.1 mp0 -58.39 -36.7 73.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.619 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.85 -41.91 91.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 1.0 110.761 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 66.8 mt -54.1 -36.27 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.186 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.54 -46.76 81.46 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.1 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' B' ' 219' ' ' GLU . 1.1 mp0 -59.98 -48.35 82.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.785 0.326 . . . . 1.0 110.204 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.44 -39.59 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . 0.405 ' O ' HG23 ' B' ' 229' ' ' VAL . 56.7 t0 -56.41 -44.37 80.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.13 -41.88 93.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.443 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.49 -32.25 66.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.708 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -71.13 -40.89 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.561 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 78.5 t -66.25 -51.4 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.933 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -55.23 -43.72 74.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.706 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.624 ' HB3' HD22 ' B' ' 233' ' ' LEU . 10.4 mpt_? -78.81 -18.63 53.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.731 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 56.9 m-80 55.43 36.63 27.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.856 0.36 . . . . 1.0 110.541 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.833 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -132.11 159.86 70.33 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.027 0.442 . . . . 1.0 110.018 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.04 140.45 95.32 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.839 2.359 . . . . 1.0 112.608 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.447 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.3 ptp180 -59.71 -43.53 94.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -47.86 -38.96 17.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.218 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . 0.406 ' O ' ' OD2' ' B' ' 237' ' ' ASP . 63.8 t0 -66.63 -39.35 88.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.889 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.697 ' HG ' HD21 ' B' ' 233' ' ' LEU . 34.1 mt -64.48 -40.54 95.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.81 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.87 -44.68 96.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -57.52 -44.41 85.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.259 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.47 -39.96 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.656 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.77 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.379 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.13 -53.76 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.366 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -50.9 -49.32 59.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -59.2 -41.79 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.552 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . 0.516 ' OH ' ' NH1' ' A' ' 31' ' ' ARG . 66.7 t80 -63.02 -45.54 91.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.38 -42.29 99.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.912 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.96 -45.59 98.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.386 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -64.52 -42.78 95.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 1.0 110.524 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -67.54 -43.63 80.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.82 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 34.3 t -69.91 -74.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.685 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -80.32 118.22 21.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 44.3 p -90.88 -15.34 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.545 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -156.33 170.76 21.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.445 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 59.46 75.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 44.3 p -85.85 163.67 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.435 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 40.6 t -149.49 147.27 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.45 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.93 149.97 51.42 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.597 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.2 153.42 77.39 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.646 2.23 . . . . 1.0 112.111 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -148.16 -72.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.34 -44.2 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 1.0 110.43 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -92.85 126.86 38.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.354 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -145.17 154.82 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.477 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -89.41 173.3 40.47 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 63.3 m -136.98 152.31 50.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.853 0.358 . . . . 1.0 110.516 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 53.78 32.2 14.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.25 -39.2 92.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.659 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -137.04 94.66 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.323 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -88.09 -2.72 80.28 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 93.3 t -80.1 132.32 32.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 1.0 110.408 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -151.52 87.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.446 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -71.37 130.68 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.586 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -159.78 149.95 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.309 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -113.33 134.72 54.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.993 0.425 . . . . 1.0 110.371 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -81.67 92.77 6.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.439 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 50.1 tp -131.07 123.48 28.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.509 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 40.9 90.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.774 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -60.27 -62.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.37 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -173.77 -58.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.44 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . 0.423 ' OXT' ' CE3' ' B' ' 280' ' ' TRP . 74.2 t90 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.595 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 2' ' ' ASN . 46.5 p-10 -148.18 128.58 13.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.591 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -62.42 -43.72 98.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.3 tp 52.73 80.07 0.1 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.3 141.35 45.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.681 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.3 63.72 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.8 pt -91.56 6.87 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.861 0.362 . . . . 1.0 110.607 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.98 9.43 39.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.538 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.9 mtp -75.02 -173.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.456 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -91.95 -26.06 20.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.519 -0.632 . . . . 1.0 111.519 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' A' ' 10' ' ' GLY . 71.8 ttt180 56.29 125.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.333 0.587 . . . . 1.0 110.179 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.9 mt -143.3 147.69 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.499 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.9 mp -97.73 133.79 41.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.06 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD13 HD13 ' B' ' 239' ' ' LEU . 40.3 tp -113.96 122.48 47.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -103.16 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.677 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' B' ' 209' ' ' MET . 13.5 mt -98.57 -171.67 2.17 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.628 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.6 OUTLIER -105.22 4.42 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.641 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' B' ' 208' ' ' ASP . 2.0 m-20 76.79 -41.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.26 0.35 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.01 -25.32 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.125 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.2 t -76.62 -31.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.292 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.68 -41.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' NZ ' ' HE ' ' B' ' 255' ' ' ARG . 36.1 ttpt -65.29 -35.61 81.53 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -48.42 71.33 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.11 -32.95 74.7 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.569 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.23 -40.63 86.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -63.91 -38.43 91.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.454 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 27' ' ' LEU . 8.7 mp -76.39 -28.96 56.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.872 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.65 -39.31 88.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.562 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.7 -49.51 79.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.807 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -57.64 -44.39 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.486 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.28 -22.84 54.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 56.41 42.01 28.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.64 153.14 72.08 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -56.44 142.51 89.07 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.716 2.277 . . . . 1.0 112.277 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' NH2' HD13 ' B' ' 212' ' ' ILE . 54.1 ttp180 -58.58 -48.04 82.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.711 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.75 11.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.541 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -65.12 -38.01 89.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.876 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.75 -39.95 88.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.829 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -47.07 86.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.466 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.87 -43.76 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.22 -41.53 85.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.378 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -67.32 -52.23 44.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -53.22 -48.73 67.91 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -63.24 -39.02 93.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.822 0.344 . . . . 1.0 110.488 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -58.9 -40.42 84.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.43 -42.81 96.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.9 mm -63.21 -47.58 91.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.604 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -64.79 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.488 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.48 ' CD ' HH21 ' B' ' 231' ' ' ARG . 5.3 tp-100 -58.7 -41.98 87.54 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-O 120.564 0.221 . . . . 1.0 110.489 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 t -62.82 -43.84 97.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.501 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.77 -39.5 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.592 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.2 m 49.76 85.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.477 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.15 -5.67 49.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.02 72.55 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.68 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -118.96 121.23 39.46 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.425 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 m -161.88 31.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.665 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' H ' HG22 ' A' ' 58' ' ' VAL . 2.5 m -77.41 150.78 80.2 Favored Pre-proline 0 N--CA 1.452 -0.347 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.06 152.67 79.7 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.611 2.207 . . . . 1.0 112.065 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.41 29.11 2.53 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.2 tt -119.78 135.23 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.851 0.358 . . . . 1.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -110.44 150.9 28.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.417 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -57.78 133.57 55.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.403 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.522 ' O ' ' SG ' ' A' ' 65' ' ' CYS . . . -58.68 -43.25 96.42 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 64' ' ' GLY . 7.1 p 45.29 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.13 0.49 . . . . 1.0 110.623 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -147.33 159.64 43.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.54 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 56.0 mp0 -138.93 136.99 36.05 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.008 0.433 . . . . 1.0 110.41 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -87.52 179.22 6.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.656 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.59 -157.87 8.95 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.35 133.72 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 1.0 110.529 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -142.31 -65.52 0.41 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -86.56 130.48 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.424 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -94.79 146.28 24.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.4 mtp85 -56.02 -72.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.656 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -170.69 102.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.59 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.39 -36.27 83.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.512 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -59.17 132.43 54.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.258 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -86.47 140.72 29.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.727 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -80.74 94.14 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.436 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 86.7 t90 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.533 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 21.0 tpp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' B' ' 202' ' ' ASN . 37.4 p-10 -80.5 118.83 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.625 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 38.8 t -77.64 -4.0 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.482 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 60.8 tp -56.72 100.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.46 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -95.45 -72.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.605 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -93.59 -125.59 4.1 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.04 111.86 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 O-C-N 122.465 -0.432 . . . . 1.0 109.947 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.525 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 99.0 m-20 -131.02 34.28 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.698 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 34.8 mmm -106.45 172.11 6.99 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.905 0.383 . . . . 1.0 110.249 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . 0.493 ' N ' ' OD1' ' A' ' 18' ' ' ASN . . . -106.04 -24.45 6.9 Favored Glycine 0 N--CA 1.465 0.572 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 73.4 ttt180 57.26 122.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.994 0.426 . . . . 1.0 110.48 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.434 HD12 HD12 ' A' ' 16' ' ' LEU . 30.6 mt -142.44 148.72 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.528 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.524 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.0 mp -92.28 144.64 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.278 0.561 . . . . 1.0 110.394 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.611 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.5 OUTLIER -142.43 144.69 33.18 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.65 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.611 ' H ' HD23 ' B' ' 214' ' ' LEU . 3.4 m-20 -101.86 106.85 17.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.623 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.562 HD22 ' O ' ' B' ' 215' ' ' ASP . 3.9 mm? -119.87 137.35 54.06 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.027 178.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 12.4 m -66.28 156.2 35.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.424 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -69.42 -24.45 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.657 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.33 -35.81 80.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.594 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.09 -42.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.353 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.2 -38.65 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.302 -0.408 . . . . 1.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -63.89 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.081 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -67.89 -48.46 65.98 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.951 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.26 -39.61 91.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.485 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -51.01 -41.14 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -61.79 -40.94 96.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 1.0 110.497 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . 0.48 ' N ' HD12 ' B' ' 227' ' ' LEU . 9.8 mp -69.42 -28.31 66.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.522 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 7.4 tm-20 -68.58 -42.53 78.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.197 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . 0.447 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 83.0 t -74.87 -42.5 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.68 -47.08 85.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.112 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.48 HH21 ' CD ' ' A' ' 50' ' ' GLN . 95.4 mtt-85 -91.05 -10.38 42.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.924 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 229' ' ' VAL . 94.1 m-20 51.56 48.92 21.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.686 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.463 ' O ' ' OE2' ' B' ' 228' ' ' GLU . 17.7 mt -139.0 150.65 65.93 Favored Pre-proline 0 C--O 1.217 -0.611 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.575 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.85 150.93 51.62 Favored 'Trans proline' 0 C--N 1.301 -1.931 0 C-N-CA 122.982 2.455 . . . . 1.0 112.851 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.07 -48.76 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.256 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.3 -40.85 8.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.208 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.61 -39.03 91.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.615 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 238' ' ' LEU . 87.3 mt -64.49 -42.73 95.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.76 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 14' ' ' LEU . 96.5 mt -63.63 -47.94 79.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.505 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -58.35 -44.87 88.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.82 -41.03 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.413 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.32 80.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.164 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.23 -52.06 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -51.63 -48.2 63.41 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -59.44 -40.6 87.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.48 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.07 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.83 -41.68 96.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.619 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.95 -45.21 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.258 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' B' ' 251' ' ' SER . 66.7 t30 -61.64 -33.21 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.994 0.426 . . . . 1.0 109.946 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . 0.433 ' O ' ' CB ' ' B' ' 251' ' ' SER . 93.1 mm-40 -74.52 34.23 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.495 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . 0.508 ' O ' ' O ' ' B' ' 252' ' ' GLN . 0.8 OUTLIER 76.58 9.01 3.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.828 179.709 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' B' ' 251' ' ' SER . 1.4 pt20 45.87 -179.6 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.241 0 O-C-N 124.243 0.964 . . . . 1.0 110.881 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . 0.404 ' N ' ' HG3' ' B' ' 252' ' ' GLN . 1.5 m 71.98 160.02 0.22 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.586 . . . . 1.0 109.663 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 256' ' ' THR . . . -169.3 -160.83 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.527 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.487 ' HE ' ' NZ ' ' A' ' 22' ' ' LYS . 84.1 mtt85 53.14 -86.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.703 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . 0.506 ' C ' ' H ' ' B' ' 258' ' ' VAL . 43.7 p -86.9 -25.25 24.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.564 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.04 -1.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.617 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . 0.734 HG13 ' O ' ' B' ' 258' ' ' VAL . 14.2 p -173.37 75.02 0.39 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.432 0.634 . . . . 1.0 110.312 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -59.8 144.38 99.46 Favored 'Trans proline' 0 C--N 1.299 -2.073 0 C-N-CA 122.769 2.313 . . . . 1.0 111.975 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -98.14 119.39 6.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 28.5 pt -82.61 -10.86 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 1.0 110.544 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -59.75 -41.7 91.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.518 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -62.05 144.47 55.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 165.15 72.25 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 45.2 t -82.03 118.52 23.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.954 0.406 . . . . 1.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -137.87 26.76 2.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.601 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -74.3 2.19 9.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.585 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -62.16 -39.37 92.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.524 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 73.02 69.02 1.46 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 271' ' ' GLU . 32.0 m -63.49 -40.91 90.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 1.0 110.552 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . 0.48 ' N ' HG23 ' B' ' 270' ' ' VAL . 79.4 tt0 -107.28 121.09 43.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.893 0.377 . . . . 1.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -71.88 135.6 46.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' B' ' 274' ' ' ARG . 57.6 tt0 -79.77 123.52 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.573 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 273' ' ' GLN . 61.2 ttt85 55.47 111.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.511 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -62.48 -171.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.538 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.675 ' H ' HD23 ' B' ' 276' ' ' LEU . 0.8 OUTLIER -156.25 12.39 0.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.628 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . 0.411 ' CZ ' ' OE2' ' B' ' 279' ' ' GLU . 79.9 ttt-85 -69.66 128.96 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.079 -178.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -172.18 107.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.453 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' B' ' 279' ' ' GLU . 47.8 mp0 -65.03 -42.61 94.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.473 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mmm . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 109.197 -0.668 . . . . 1.0 109.197 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -74.36 145.13 44.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.433 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.487 ' O ' ' O ' ' A' ' 4' ' ' LEU . 3.1 p 47.17 29.48 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.608 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.61 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? 57.73 135.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.774 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.03 176.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.3 101.94 0.15 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 pt -90.02 16.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.909 0.385 . . . . 1.0 110.541 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' B' ' 218' ' ' ASN . 81.9 m-20 -87.53 8.88 23.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.638 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.6 mtm -74.7 -155.17 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.44 29.56 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -101.81 144.77 30.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' B' ' 214' ' ' LEU . 52.5 mt -138.22 137.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 1.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.8 mm? -93.42 124.01 37.12 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.074 0.464 . . . . 1.0 110.5 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 13' ' ' LEU . 2.2 mm? -116.89 131.21 57.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.812 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.503 ' C ' HD22 ' A' ' 16' ' ' LEU . 96.6 m-20 -102.13 110.59 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.4 mm? -105.44 -165.97 1.17 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.6 -154.39 0.54 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.031 0.443 . . . . 1.0 110.358 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -111.21 -38.58 4.98 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.194 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -28.36 64.66 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.072 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.59 -37.97 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 120.944 0.402 . . . . 1.0 110.244 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.51 -42.14 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.399 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.76 -38.6 91.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.19 -45.58 80.33 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.305 -0.407 . . . . 1.0 109.925 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.28 -45.3 92.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.899 0.381 . . . . 1.0 110.799 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -60.28 -47.5 85.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.769 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.52 -45.35 92.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.605 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.04 -30.8 70.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.66 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' ASN . 21.3 mt-10 -66.9 -42.29 85.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.668 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.47 -42.43 96.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.613 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.98 -46.21 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.629 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -80.82 -12.71 59.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.596 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 14.1 m120 56.04 37.95 29.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.1 mt -134.05 150.54 74.61 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.812 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 154.7 72.69 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.719 2.279 . . . . 1.0 112.134 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 9.7 ptp85 -61.26 -43.5 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.495 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -49.5 -39.3 33.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.107 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -69.75 -39.99 76.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.34 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.9 -41.99 86.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.49 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.71 -44.56 89.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.761 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -57.78 -42.98 85.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.258 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.69 -38.01 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.452 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.16 -44.54 97.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.09 -53.96 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.289 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.35 -44.58 68.62 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.117 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -64.78 -36.48 84.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.868 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.532 ' CE1' ' OE1' ' A' ' 50' ' ' GLN . 77.2 t80 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.479 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.22 -46.94 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.463 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 48' ' ' ILE . 1.4 mp -57.23 -43.6 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -64.08 -36.46 84.08 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.478 -0.564 . . . . 1.0 109.478 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.532 ' OE1' ' CE1' ' A' ' 46' ' ' TYR . 4.7 mp0 -85.1 27.0 0.81 Allowed 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 76.7 p -98.12 -4.67 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.84 0.353 . . . . 1.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -148.91 100.49 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.022 0.439 . . . . 1.0 110.352 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.3 p -104.14 7.5 36.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.488 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.89 -38.58 76.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.502 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -127.64 143.38 51.16 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.079 0.466 . . . . 1.0 110.613 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -145.35 159.51 42.94 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.399 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -116.85 132.29 56.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 58' ' ' VAL . 15.3 m -74.88 147.44 83.97 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.673 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.56 134.88 31.83 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.571 2.181 . . . . 1.0 112.1 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.69 -41.1 75.81 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.742 HD13 ' N ' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -133.24 127.54 54.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.878 -0.416 . . . . 1.0 109.878 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.742 ' N ' HD13 ' A' ' 61' ' ' ILE . 71.0 t90 -137.16 93.68 2.86 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.786 0.327 . . . . 1.0 111.014 177.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -65.66 -40.09 92.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.734 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.41 -49.47 2.38 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 32.1 p -173.55 123.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 1.0 110.502 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -83.94 145.87 28.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.662 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.66 129.63 40.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -91.29 108.66 20.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.452 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.6 151.86 46.94 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.838 -0.905 . . . . 1.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.17 139.72 45.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.896 0.379 . . . . 1.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -63.4 97.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.653 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.508 ' C ' ' H ' ' A' ' 74' ' ' ARG . 88.7 m-85 -63.17 -4.24 2.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 69.56 -39.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.54 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' A' ' 72' ' ' TYR . 90.1 mtm180 50.29 -170.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.49 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -136.32 152.15 50.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.065 0.46 . . . . 1.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.31 69.36 1.37 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -64.4 -41.16 96.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.551 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 53.4 177.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 1.0 110.433 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -137.72 145.82 42.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.021 0.439 . . . . 1.0 110.409 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.1 m95 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.622 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -62.36 -39.96 94.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 84.4 p -74.15 151.41 40.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.538 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' B' ' 205' ' ' ALA . 44.5 tp -118.48 118.2 31.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.578 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' B' ' 204' ' ' LEU . . . 67.37 -59.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.371 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' B' ' 204' ' ' LEU . . . 97.43 156.37 30.34 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.761 -0.936 . . . . 1.0 110.761 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 5.6 pt -111.6 120.65 62.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.101 0.477 . . . . 1.0 110.586 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -77.51 15.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.595 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 71.1 mmm -82.94 168.2 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.433 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -116.93 120.86 4.96 Favored Glycine 0 N--CA 1.464 0.511 0 N-CA-C 110.864 -0.895 . . . . 1.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -82.24 136.46 35.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.06 0.457 . . . . 1.0 110.546 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.521 HG22 ' N ' ' B' ' 213' ' ' LEU . 96.8 mt -137.39 158.66 35.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.379 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.54 HD23 ' N ' ' B' ' 214' ' ' LEU . 1.2 tt -113.54 112.42 23.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.072 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.54 ' N ' HD23 ' B' ' 213' ' ' LEU . 33.6 tp -113.23 131.21 55.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.639 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.436 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 44.7 p-10 -121.15 122.94 41.09 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.453 . . . . 1.0 110.502 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.3 mt -129.58 152.28 49.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.651 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.1 m -55.67 152.25 9.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 62.6 m-80 -61.57 -38.46 87.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.263 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -56.86 -33.9 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.417 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.35 -43.07 81.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.43 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 55.3 mt -54.76 -37.04 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.73 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -65.9 -38.0 87.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 1.0 109.958 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.01 -48.01 72.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.237 -0.438 . . . . 1.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.94 -41.23 86.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.429 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.5 -41.1 80.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.449 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.43 -46.56 89.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.42 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . 0.403 HD12 ' N ' ' B' ' 227' ' ' LEU . 8.9 mp -66.42 -31.84 72.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.522 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 232' ' ' ASN . 32.3 mt-10 -63.85 -43.63 95.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.23 -43.17 95.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.564 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -65.49 -38.23 89.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.486 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.42 ' O ' ' OD1' ' B' ' 232' ' ' ASN . 6.8 mmp_? -93.78 -3.03 52.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.631 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' B' ' 228' ' ' GLU . 3.9 p-10 43.6 37.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.503 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.2 mt -133.64 151.65 77.55 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.693 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.76 149.91 89.68 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.58 2.186 . . . . 1.0 112.205 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 19.7 ptp180 -60.1 -42.76 95.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.492 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.44 -41.83 30.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.395 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -70.14 -40.24 74.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.548 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.26 -42.03 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.65 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.28 -42.11 99.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.574 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -55.86 -44.97 78.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.283 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -69.19 -37.39 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.507 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.06 88.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.385 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.58 -53.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -55.55 -49.45 72.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -54.59 -41.89 70.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.637 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -63.53 -44.18 95.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 1.0 110.487 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.61 -35.85 80.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.69 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.86 -44.01 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.49 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . 0.554 ' C ' ' H ' ' B' ' 251' ' ' SER . 67.3 t30 -68.91 -35.91 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.149 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' B' ' 251' ' ' SER . 14.3 mm100 -70.51 28.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.335 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . 0.554 ' H ' ' C ' ' B' ' 249' ' ' ASN . 2.6 p 78.59 132.9 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.138 0.494 . . . . 1.0 110.378 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -139.08 50.72 1.81 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.605 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 64.9 p -83.76 169.05 15.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -138.34 97.13 3.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.435 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -69.27 -25.58 64.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.703 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 35.8 p -67.35 -30.23 69.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.555 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 47.1 t 55.31 81.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.522 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 4.1 t -145.83 57.97 4.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.977 0.418 . . . . 1.0 110.489 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -70.1 154.31 66.51 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.704 2.269 . . . . 1.0 112.039 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -62.88 -35.88 92.62 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 81.5 mt -106.06 114.65 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.003 0.43 . . . . 1.0 110.373 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -90.77 -65.14 1.04 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.594 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -75.04 75.01 2.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.528 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -173.35 168.98 42.07 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 40.7 t -173.48 -20.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 1.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -160.39 24.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.64 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.4 138.85 58.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.364 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -141.54 53.45 1.52 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.626 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 81.78 13.67 79.27 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.43 131.41 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.874 0.369 . . . . 1.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.87 -92.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.711 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -168.03 -13.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.53 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' B' ' 275' ' ' LYS . 95.5 mt-30 54.42 85.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.711 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 41.14 -97.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.678 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' B' ' 273' ' ' GLN . 26.1 pttm -104.24 175.01 5.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.717 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.599 ' N ' HD22 ' B' ' 276' ' ' LEU . 3.7 mm? -74.05 144.45 45.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.746 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -49.63 -72.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.594 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 46.11 52.32 10.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.569 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.86 -37.39 86.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.673 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.545 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.411 -0.589 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.2 -43.5 97.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.676 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -163.17 136.56 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.545 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.0 mt 43.73 65.22 1.05 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.711 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.88 15.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.52 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.89 -135.42 3.72 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.2 mm -99.85 108.83 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 1.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -161.66 70.47 0.34 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.748 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.1 mtm -81.54 162.12 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.408 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.58 -179.94 24.66 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.653 -0.979 . . . . 1.0 110.653 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -130.38 128.58 41.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.834 0.349 . . . . 1.0 110.538 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 mm -127.31 147.37 32.16 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.711 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.8 mp -98.76 136.03 39.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.326 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -130.07 136.36 49.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.435 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -120.57 123.93 44.06 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.692 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.3 mt -129.34 151.46 49.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.677 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -66.59 156.22 35.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.472 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -61.22 -31.57 71.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.462 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.88 -35.03 77.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.95 -41.76 84.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.385 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.6 mt -53.96 -41.48 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.018 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.18 -37.84 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 1.0 110.277 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -66.01 -48.95 69.47 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.31 -38.69 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 29' ' ' VAL . 47.1 t0 -55.0 -45.94 75.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.552 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -60.51 -44.04 96.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.1 mp -74.48 -28.57 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.93 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASN . 8.3 tm-20 -76.2 -42.13 47.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.82 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 25' ' ' ASP . 57.8 t -66.38 -51.54 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.67 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -52.44 -45.91 66.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.51 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.594 ' HE ' HD21 ' A' ' 33' ' ' LEU . 72.2 mtp85 -81.73 -32.86 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.756 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' GLU . 55.2 t30 63.19 65.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.898 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.594 HD21 ' HE ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -150.27 159.24 35.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.355 0.598 . . . . 1.0 110.586 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.46 141.69 95.08 Favored 'Trans proline' 0 C--N 1.3 -1.978 0 C-N-CA 122.703 2.268 . . . . 1.0 112.175 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.43 HH11 ' CD1' ' B' ' 212' ' ' ILE . 44.6 ttm180 -61.31 -43.88 98.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.475 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.36 -41.06 18.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.287 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.46 -39.7 95.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.68 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.97 -43.39 92.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.66 -47.78 82.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.789 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -57.89 -43.9 86.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.484 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.36 -39.63 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.31 -46.9 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.307 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.92 -51.62 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.148 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -52.83 -48.05 67.25 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -56.54 -42.28 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.744 0.307 . . . . 1.0 110.479 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -63.69 -43.2 97.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.036 0.446 . . . . 1.0 110.608 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.28 -40.67 97.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.4 mt -60.32 -44.76 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.333 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 51' ' ' SER . 63.0 t30 -64.77 -39.4 93.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.188 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -78.57 27.51 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.797 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.65 ' C ' ' H ' ' A' ' 53' ' ' THR . 28.1 t -160.67 165.08 31.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.318 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.56 ' C ' ' H ' ' A' ' 54' ' ' ALA . 96.2 mt-30 63.52 -26.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.516 0.51 . . . . 1.0 110.74 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.65 ' H ' ' C ' ' A' ' 51' ' ' SER . 4.1 m 66.45 -13.68 0.17 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.594 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.56 ' H ' ' C ' ' A' ' 52' ' ' GLN . . . -73.63 141.79 46.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.511 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -138.79 136.45 35.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.41 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p -79.46 164.09 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -77.51 162.75 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.758 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 58' ' ' VAL . 11.5 p -72.02 136.68 82.18 Favored Pre-proline 0 N--CA 1.442 -0.838 0 C-N-CA 120.238 -0.585 . . . . 1.0 110.124 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.3 144.46 30.51 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.615 2.21 . . . . 1.0 112.144 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.32 156.58 34.1 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.59 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.4 pp -134.99 170.81 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.124 0.487 . . . . 1.0 110.623 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -82.98 162.59 21.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.415 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -58.81 136.36 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.56 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.35 106.93 0.29 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.3 m -98.05 145.25 26.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 1.0 110.484 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.505 ' OE1' ' NH2' ' B' ' 255' ' ' ARG . 80.3 mm-40 -63.22 123.06 17.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.383 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -92.09 113.53 25.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.542 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.34 -43.45 98.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.542 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 70' ' ' VAL . . . 80.1 6.01 89.36 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 69' ' ' GLY . 25.7 t 47.15 97.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 1.0 110.431 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -131.23 122.15 26.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.945 0.402 . . . . 1.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 74' ' ' ARG . 97.4 m-85 -91.11 60.86 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.49 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 52.94 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.623 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 72' ' ' TYR . 71.2 ttt180 47.59 63.56 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.54 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -62.91 -41.61 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.489 ' C ' HD23 ' A' ' 76' ' ' LEU . 2.0 tt -170.98 -65.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.606 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.0 91.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.828 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.77 145.61 25.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.551 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' A' ' 79' ' ' GLU . 1.5 pm0 -145.88 -27.57 0.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.608 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.394 -179.856 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 14.2 m120 56.88 35.2 26.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.582 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 33.5 t -165.42 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.623 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 55.7 mt -63.73 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.589 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -64.3 146.84 53.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.507 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -151.26 158.47 27.72 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.68 -0.968 . . . . 1.0 110.68 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 92.1 mt -109.0 117.01 53.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.943 0.401 . . . . 1.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -153.46 75.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.6 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 79.5 mtp -89.25 177.17 6.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.311 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -113.09 179.83 19.2 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -139.47 128.62 23.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 1.0 110.404 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.43 ' CD1' HH11 ' A' ' 35' ' ' ARG . 82.6 mt -135.52 149.32 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.334 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.482 HD12 ' N ' ' B' ' 213' ' ' LEU . 11.2 mp -102.23 128.24 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.986 0.422 . . . . 1.0 110.238 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.67 132.8 54.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.644 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -113.05 128.37 56.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.63 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 64.1 mt -128.54 140.01 52.01 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.506 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 9.1 m -66.02 155.49 36.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.367 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -57.94 -38.03 75.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.496 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.362 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.76 -41.36 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.537 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.8 mt -54.64 -39.62 47.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.77 -37.75 88.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 1.0 110.248 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.38 -48.52 75.14 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-O 121.032 0.444 . . . . 1.0 109.913 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.5 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.475 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.37 -40.22 85.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -65.52 -38.96 91.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.655 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.99 -29.63 63.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.847 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' B' ' 233' ' ' LEU . 6.0 tm-20 -69.46 -42.08 75.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.959 0.409 . . . . 1.0 110.912 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.61 -48.26 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.838 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -59.01 -45.92 89.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.698 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -78.14 -26.36 47.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.936 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 66.7 t30 58.92 42.9 18.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 228' ' ' GLU . 16.0 mt -138.52 153.96 73.0 Favored Pre-proline 0 C--O 1.222 -0.361 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.001 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -59.82 144.52 99.44 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.764 2.309 . . . . 1.0 112.288 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 30.5 ptt180 -58.62 -45.29 89.5 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -45.8 -43.19 13.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.116 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.99 -39.74 93.92 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.714 -0.395 . . . . 1.0 110.406 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 88.7 mt -65.04 -40.64 95.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.727 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.79 -48.03 82.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.41 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -59.18 -43.5 92.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.218 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -65.86 -38.35 88.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.12 87.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.59 -53.79 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -49.81 -48.69 50.64 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.02 -41.36 99.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 1.0 110.558 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.29 -47.95 83.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.491 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.14 98.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.628 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' B' ' 252' ' ' GLN . 95.6 mt -65.39 -48.61 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.591 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -65.77 -42.74 90.47 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.514 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.41 -42.58 99.55 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 252' ' ' GLN . 82.7 p -88.32 -9.08 53.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.555 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' B' ' 248' ' ' ILE . 82.8 mm-40 55.3 159.97 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 2.9 t -144.05 156.51 44.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.508 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 61.02 -167.99 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.509 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.505 ' NH2' ' OE1' ' A' ' 66' ' ' GLU . 89.3 mtm180 -140.44 168.42 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.526 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 64.5 p -62.01 137.72 58.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.32 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . 0.716 ' O ' ' O ' ' B' ' 258' ' ' VAL . 39.9 t -64.29 129.35 39.6 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 118.809 -0.615 . . . . 1.0 109.908 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . 0.716 ' O ' ' O ' ' B' ' 257' ' ' SER . 28.7 m 43.56 149.97 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.769 0 O-C-N 124.444 1.09 . . . . 1.0 111.508 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -49.09 -39.21 41.34 Favored 'Trans proline' 0 C--N 1.288 -2.61 0 C-N-CA 121.675 1.583 . . . . 1.0 112.207 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 91.94 -115.03 4.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 31.7 pt -83.08 141.56 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 1.0 110.707 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -85.5 126.77 34.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -90.73 -39.85 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.359 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 136.58 -137.97 9.47 Favored Glycine 0 N--CA 1.464 0.542 0 N-CA-C 110.643 -0.983 . . . . 1.0 110.643 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 7.6 t -113.07 176.69 4.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.869 0.366 . . . . 1.0 110.503 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.63 131.43 50.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.495 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -102.2 161.08 13.97 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.396 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -82.04 113.77 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.576 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -150.45 31.7 1.03 Allowed Glycine 0 CA--C 1.519 0.292 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . 0.411 ' O ' HG23 ' B' ' 270' ' ' VAL . 35.5 m -114.56 129.43 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.002 0.43 . . . . 1.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' B' ' 271' ' ' GLU . 56.0 mp0 -85.58 -66.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.452 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' B' ' 271' ' ' GLU . 80.8 t80 41.84 93.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.621 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' B' ' 274' ' ' ARG . 85.0 mt-30 -127.84 -40.46 1.71 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.545 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 273' ' ' GLN . 28.9 mmt180 59.41 126.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.007 0.432 . . . . 1.0 110.482 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' B' ' 275' ' ' LYS . 1.7 mppt? -71.62 134.58 46.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.586 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' B' ' 275' ' ' LYS . 47.1 mt 58.37 151.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.416 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 90.5 mtm-85 -65.43 -37.61 87.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.495 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 56.74 -95.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.5 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . 0.523 ' O ' ' CG ' ' B' ' 280' ' ' TRP . 96.1 mt-10 -139.08 6.26 2.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.492 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' B' ' 279' ' ' GLU . 97.4 m95 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -69.04 122.49 18.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.5 p -73.82 154.08 39.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 4' ' ' LEU . 38.5 tp -110.94 127.43 55.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.525 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.3 48.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.02 110.99 3.15 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.8 mt -102.24 109.6 26.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.925 0.393 . . . . 1.0 110.458 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -169.45 78.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.57 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mmm -56.61 176.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.537 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.67 154.97 16.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -123.89 120.11 31.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.996 0.426 . . . . 1.0 110.482 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.4 ' C ' HD12 ' A' ' 13' ' ' LEU . 93.3 mt -137.2 152.76 28.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.5 mp -99.33 139.59 34.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.739 HD23 ' H ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -134.47 140.85 46.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.539 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.739 ' H ' HD23 ' A' ' 14' ' ' LEU . 46.2 p-10 -119.66 127.28 52.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.722 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.7 mt -131.31 148.51 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.5 m -59.67 152.32 22.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -62.55 -37.66 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.598 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -56.18 -35.57 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.545 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -68.31 -42.68 84.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.93 -39.71 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.24 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.04 -39.38 93.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.14 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -66.32 -48.97 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.193 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.28 -40.19 96.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.295 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -59.66 -42.94 93.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.508 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.399 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.12 -28.69 60.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -66.01 -41.48 90.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.543 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.2 -43.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -60.82 -44.32 97.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.851 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -77.89 -11.77 59.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.505 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 53.31 34.29 17.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.2 mt -135.04 153.92 78.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.639 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.17 145.51 97.51 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 122.733 2.288 . . . . 1.0 112.0 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 36' ' ' ALA . 40.4 ptt180 -61.13 -41.57 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.595 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 35' ' ' ARG . . . -48.95 -42.25 36.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.289 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -66.2 -40.31 90.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.473 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.726 HD13 HD21 ' B' ' 214' ' ' LEU . 88.7 mt -61.34 -44.4 97.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.554 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -44.86 95.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.77 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.359 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.74 -50.63 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.332 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -54.54 -48.79 71.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.954 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -57.17 -42.27 80.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.423 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.496 ' CG ' ' OE1' ' A' ' 50' ' ' GLN . 41.5 t80 -63.51 -42.01 98.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.436 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.56 -42.64 97.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.332 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.16 -45.25 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 1.0 109.863 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -66.78 -41.96 86.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.323 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.496 ' OE1' ' CG ' ' A' ' 46' ' ' TYR . 2.6 mp0 -65.6 -44.88 85.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.38 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.2 t -69.25 -17.17 63.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.591 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -62.44 -44.56 96.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.582 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.0 p 44.32 41.32 4.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.547 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 143.07 56.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.511 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 56' ' ' THR . 84.6 mtt85 -69.26 138.07 53.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.5 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 55' ' ' ARG . 68.7 p 48.78 178.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.56 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -152.7 156.2 38.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.534 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 58' ' ' VAL . 5.7 m -93.18 149.4 37.38 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.52 153.04 74.54 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.819 2.346 . . . . 1.0 112.094 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.45 -167.71 0.71 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 62' ' ' TRP . 97.1 mt -63.29 -43.64 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 121.032 -0.267 . . . . 1.0 110.423 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.434 ' O ' ' O ' ' A' ' 61' ' ' ILE . 66.2 t-105 47.2 98.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.527 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -152.68 -63.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.491 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.93 109.74 3.0 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.1 -37.32 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 1.0 110.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 55.04 87.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.527 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -134.53 55.57 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.65 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -88.5 1.23 55.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.511 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.1 99.85 0.1 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.92 132.71 70.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.8 0.334 . . . . 1.0 110.474 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' OE2' ' N ' ' A' ' 71' ' ' GLU . 56.8 mp0 -72.29 120.6 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.678 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -62.04 -44.95 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.482 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -156.49 128.76 7.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.545 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -75.75 146.23 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -108.69 176.04 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 1.0 110.52 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.26 146.75 49.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -75.37 133.76 41.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.519 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -82.01 -26.7 33.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.536 ' O ' ' CG ' ' A' ' 80' ' ' TRP . 99.3 mt-10 53.99 14.63 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.516 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.536 ' CG ' ' O ' ' A' ' 79' ' ' GLU . 4.8 m-90 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.52 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -63.48 -41.97 98.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.549 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 12.3 t -175.04 97.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.613 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.583 HD22 ' N ' ' B' ' 204' ' ' LEU . 3.8 mm? -88.89 -5.79 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.518 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -160.15 156.23 26.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 83.49 33.84 21.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.019 -0.833 . . . . 1.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . 0.507 HD12 ' N ' ' B' ' 208' ' ' ASP . 1.1 pp -97.62 7.79 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.716 0.293 . . . . 1.0 110.619 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.507 ' N ' HD12 ' B' ' 207' ' ' ILE . 49.2 t0 -80.63 10.81 4.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.542 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 77.4 mtp -141.22 124.43 16.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.08 123.92 35.02 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -77.03 130.23 37.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 1.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.44 HG22 ' N ' ' B' ' 213' ' ' LEU . 87.5 mt -134.53 154.94 38.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.493 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.44 ' N ' HG22 ' B' ' 212' ' ' ILE . 0.1 OUTLIER -111.32 128.66 56.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.994 0.426 . . . . 1.0 110.363 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -115.44 131.52 56.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -101.95 111.13 23.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 49.4 mt -116.81 130.61 56.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.668 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 1.6 t -63.12 149.05 46.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.439 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -55.57 -38.24 69.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.47 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 66.7 t -68.24 -42.39 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 1.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -55.34 -39.58 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.03 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.18 -48.22 68.61 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.051 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . 0.55 ' C ' HH12 ' B' ' 235' ' ' ARG . 63.3 mt -65.49 -39.86 92.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.419 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -57.87 -47.08 83.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.576 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.69 -39.83 92.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.79 -35.73 81.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.999 0.428 . . . . 1.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' B' ' 232' ' ' ASN . 38.5 tt0 -60.88 -42.69 98.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.709 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 98.5 t -67.19 -41.91 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.816 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -55.17 -47.91 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.942 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -92.74 -15.72 26.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.716 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' B' ' 228' ' ' GLU . 18.8 m120 57.13 36.75 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.621 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 84.6 mt -109.6 156.0 40.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 1.0 110.536 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.16 144.51 99.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.531 2.154 . . . . 1.0 112.272 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.55 HH12 ' C ' ' B' ' 224' ' ' LEU . 4.7 tpm_? -61.28 -54.02 49.4 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.023 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -53.33 -38.2 63.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.2 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . 0.435 ' O ' ' OE1' ' B' ' 241' ' ' GLU . 62.3 t0 -66.54 -40.76 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 1.0 110.612 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.52 HD13 HH21 ' B' ' 235' ' ' ARG . 78.8 mt -66.94 -40.7 87.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.787 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.37 -44.16 97.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.568 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -57.38 -42.6 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.184 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . 0.556 ' N ' ' OE1' ' B' ' 241' ' ' GLU . 1.4 mp0 -63.36 -42.65 98.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.8 78.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.511 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.8 -53.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.534 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.38 -43.57 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.031 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -58.05 -41.07 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.424 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.47 -42.52 98.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.595 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.99 -41.72 98.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.753 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.48 -45.33 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.3 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' B' ' 251' ' ' SER . 15.9 t-20 -65.14 -34.58 78.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.071 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . 0.425 ' O ' ' CB ' ' B' ' 251' ' ' SER . 83.9 mm-40 -72.92 29.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.537 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . 0.519 ' H ' ' C ' ' B' ' 249' ' ' ASN . 1.4 t 76.68 117.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -156.82 -77.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.569 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 15.2 t -165.94 -21.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 57.12 108.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.623 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -84.48 121.2 27.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.464 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . 0.431 ' O ' ' O ' ' B' ' 257' ' ' SER . 41.7 p -67.27 -33.34 75.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.558 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 256' ' ' THR . 7.9 t 59.57 131.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.575 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.8 m -149.27 73.03 10.07 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.519 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.14 144.51 99.48 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.706 2.271 . . . . 1.0 112.08 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' B' ' 262' ' ' TRP . . . -72.4 -71.5 1.06 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 89.2 mt 44.38 -91.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 1.0 110.606 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . 0.496 ' N ' ' O ' ' B' ' 260' ' ' GLY . 71.9 t-105 -168.19 -6.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.546 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.81 -39.29 93.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.382 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -65.1 92.54 0.14 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 17.5 t -173.96 -23.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 1.0 110.571 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -67.12 140.52 57.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.497 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 53.27 82.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.448 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -89.17 111.87 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.5 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -60.86 -100.14 0.01 OUTLIER Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.939 -0.865 . . . . 1.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.9 159.98 39.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 1.0 110.519 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -170.97 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.534 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . 0.439 ' C ' ' H ' ' B' ' 274' ' ' ARG . 95.7 m-85 -79.6 151.49 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.641 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 54.63 9.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.614 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' B' ' 275' ' ' LYS . 62.3 ttp180 -79.86 -69.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.669 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' B' ' 274' ' ' ARG . 69.6 mmtt 59.27 135.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' B' ' 275' ' ' LYS . 51.4 mt 58.98 123.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.44 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . 0.436 ' N ' ' CD ' ' B' ' 277' ' ' ARG . 3.0 mpt_? -61.65 -42.24 98.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.474 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -69.13 142.0 54.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.85 -39.97 91.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 98.4 m95 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.5 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.9 m120 55.74 61.57 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.599 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 4' ' ' LEU . 46.8 t -61.41 135.98 57.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.628 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 3' ' ' SER . 54.1 mt 51.38 171.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.572 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.86 96.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.688 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.43 164.0 33.75 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.673 -0.971 . . . . 1.0 110.673 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.4 mt -116.33 70.95 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.843 0.354 . . . . 1.0 110.293 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 46.12 34.22 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.469 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 81.7 mtp -67.08 122.89 18.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.229 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.53 138.58 30.59 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.512 HH21 HD23 ' B' ' 213' ' ' LEU . 28.8 ttt85 -84.0 141.09 31.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' HD22 ' A' ' 13' ' ' LEU . 75.9 mt -133.51 149.8 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.949 0.404 . . . . 1.0 110.51 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.486 HD22 ' C ' ' A' ' 12' ' ' ILE . 4.2 mm? -104.21 111.85 24.63 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.344 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 212' ' ' ILE . 49.4 tp -108.77 126.59 53.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.213 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -115.85 124.26 50.21 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.973 0.416 . . . . 1.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -134.6 151.19 50.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.725 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -63.63 157.55 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.562 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -63.09 -37.53 87.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.525 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -57.39 -32.73 67.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.4 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.15 -44.19 84.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.67 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.9 mt -53.38 -38.17 31.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.555 -0.535 . . . . 1.0 109.555 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -64.57 -38.18 90.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.911 0.386 . . . . 1.0 110.005 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -67.09 -48.31 68.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.193 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.37 -40.89 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.5 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -51.86 -42.11 62.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.397 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -59.6 -43.17 93.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.941 0.401 . . . . 1.0 110.257 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.0 mp -70.26 -29.67 66.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.428 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.5 mt-10 -70.98 -39.93 72.2 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.91 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.24 -50.06 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.759 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.353 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.701 HH21 ' NE2' ' B' ' 250' ' ' GLN . 84.4 mmt-85 -85.05 -15.92 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.804 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' GLU . 11.1 m120 56.89 37.87 29.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.297 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.3 mt -136.52 152.62 75.08 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.028 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.45 151.44 84.94 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.62 2.213 . . . . 1.0 112.055 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -58.82 -45.26 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.842 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.23 -37.92 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.052 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 66.1 t0 -68.73 -37.82 79.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 1.0 110.741 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.75 -39.83 91.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.65 -44.04 97.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.757 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -60.63 -43.21 97.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.278 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.19 -40.36 82.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.58 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.38 96.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.32 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.85 -53.51 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.2 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.31 -48.66 65.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 1.0 109.853 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.62 -41.19 98.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.704 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' GLN . 75.3 t80 -60.99 -44.59 97.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' CG ' ' A' ' 50' ' ' GLN . 90.3 mt -59.64 -46.74 88.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.479 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.23 -46.22 91.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.63 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.18 -18.16 60.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.639 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.49 ' NE2' ' C ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -43.47 -34.06 1.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.485 -179.474 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.4 t -64.82 -42.0 95.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.151 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -86.2 50.41 1.98 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.636 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.1 m -76.25 -73.28 0.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.649 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.72 78.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.66 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -145.52 132.71 20.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.899 0.38 . . . . 1.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' SER . 13.7 t -150.17 167.44 26.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.495 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 56' ' ' THR . 8.4 t 60.25 137.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.623 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 m -79.61 149.56 71.61 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.687 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.79 -22.25 43.4 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.668 2.245 . . . . 1.0 112.02 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.29 -167.72 35.66 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.639 -0.984 . . . . 1.0 110.639 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.595 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.3 pp -126.13 167.2 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.212 0.529 . . . . 1.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -74.5 137.65 42.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.485 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -147.01 154.3 41.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.488 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.41 173.27 45.23 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.0 t -135.98 132.41 36.31 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.906 0.384 . . . . 1.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -75.07 119.71 19.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.276 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -92.29 128.0 37.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -90.29 102.14 14.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.354 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 71' ' ' GLU . . . -94.06 -127.27 4.75 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.692 -0.963 . . . . 1.0 110.692 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' TYR . 9.0 t 57.5 -76.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 121.38 -0.128 . . . . 1.0 110.751 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 69' ' ' GLY . 12.3 pt-20 31.54 38.12 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.4 0.438 . . . . 1.0 110.958 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.503 ' CD2' ' N ' ' A' ' 73' ' ' GLN . 84.9 t80 -74.68 -99.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.29 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.503 ' N ' ' CD2' ' A' ' 72' ' ' TYR . 96.2 mt-30 45.32 93.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.57 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -142.52 91.58 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.354 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -117.66 110.2 17.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.456 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.1 tp -94.66 75.38 3.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.359 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -87.95 -25.35 23.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.756 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 58.32 -92.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.527 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 41.37 90.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.546 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.59 -40.79 96.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 20.6 m -72.15 125.65 27.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.439 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.525 ' N ' HD12 ' B' ' 204' ' ' LEU . 10.7 mp -63.88 -41.83 97.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.494 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -62.04 145.91 51.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.596 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -177.34 -55.06 0.07 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -108.6 110.54 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.838 -0.43 . . . . 1.0 109.838 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -140.35 66.44 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.46 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 57.2 mtp -102.24 176.39 5.21 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.854 0.359 . . . . 1.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -101.23 -19.36 16.77 Favored Glycine 0 N--CA 1.461 0.365 0 N-CA-C 111.57 -0.612 . . . . 1.0 111.57 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.5 ttm-85 57.38 124.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.008 0.432 . . . . 1.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.473 ' C ' HD12 ' B' ' 213' ' ' LEU . 90.5 mt -136.96 148.8 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.285 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.559 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.2 mp -101.33 131.68 47.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ILE . 59.1 tp -131.38 138.32 49.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.499 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 215' ' ' ASP . 37.9 p-10 -129.51 133.08 47.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 1.0 110.7 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.498 ' O ' ' O ' ' B' ' 217' ' ' SER . 91.4 mt -135.37 160.82 37.24 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.474 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . 0.498 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -53.65 -159.08 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.364 179.572 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -103.95 -43.81 5.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.797 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -59.32 -27.57 66.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.352 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.38 -43.7 78.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.547 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.96 -34.74 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -68.17 -38.52 82.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.088 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.38 -46.82 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.912 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 65.5 mt -63.0 -39.35 94.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.689 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -54.84 -42.55 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.573 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.28 -40.11 89.23 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.646 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.71 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.79 -39.26 73.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.199 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 64.7 t -86.9 -36.54 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.905 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -43.87 -27.45 0.35 Allowed 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' B' ' 232' ' ' ASN . 83.7 mtt85 -117.98 -92.72 0.52 Allowed 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 120.361 -0.535 . . . . 1.0 110.867 178.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.558 ' H ' HD12 ' B' ' 233' ' ' LEU . 19.3 t30 165.92 60.71 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.82 0.7 . . . . 1.0 110.997 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.778 HD22 ' C ' ' B' ' 233' ' ' LEU . 0.0 OUTLIER -164.12 156.03 14.42 Favored Pre-proline 0 C--N 1.312 -1.03 0 CA-C-O 121.385 0.612 . . . . 1.0 110.174 -177.627 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . 0.527 ' O ' HD22 ' B' ' 233' ' ' LEU . 19.8 Cg_endo -57.94 142.51 96.59 Favored 'Trans proline' 0 C--N 1.293 -2.36 0 C-N-CA 122.37 2.047 . . . . 1.0 113.882 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 20.1 ptp180 -57.98 -40.73 81.39 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.25 0.548 . . . . 1.0 110.658 179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -46.12 -43.1 14.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.143 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . 0.526 ' HB2' HD23 ' B' ' 233' ' ' LEU . 58.1 m-20 -63.59 -35.36 80.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.519 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.425 ' HG ' HD21 ' B' ' 233' ' ' LEU . 6.8 mt -67.14 -39.31 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.933 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 239' ' ' LEU . 92.6 mt -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.354 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.99 -42.04 89.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.345 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.7 -37.25 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.622 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.51 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.75 -53.73 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.448 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -51.07 -47.12 61.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 1.0 109.856 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -63.06 -40.59 98.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.554 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . 0.535 ' CZ ' ' OE1' ' B' ' 250' ' ' GLN . 82.3 t80 -61.84 -44.1 97.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.288 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.19 -44.61 97.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.324 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.07 -46.02 92.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.112 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -66.47 -22.56 66.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.588 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . 0.701 ' NE2' HH21 ' A' ' 31' ' ' ARG . 54.5 tp60 -56.85 -39.02 73.5 Favored 'General case' 0 N--CA 1.437 -1.116 0 O-C-N 123.129 0.268 . . . . 1.0 110.594 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . 0.481 ' C ' ' H ' ' B' ' 253' ' ' THR . 84.0 p -77.8 165.27 24.38 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.125 0.488 . . . . 1.0 110.688 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 54.61 6.29 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . 0.481 ' H ' ' C ' ' B' ' 251' ' ' SER . 58.9 m -130.01 124.51 33.12 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.398 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -179.82 45.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.445 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' B' ' 257' ' ' SER . 89.2 mtm180 -77.56 -82.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.569 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 6.8 p 43.51 20.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.664 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . 0.47 ' N ' ' O ' ' B' ' 255' ' ' ARG . 67.8 m -157.28 167.04 31.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.584 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 11.3 t 59.39 73.16 0.7 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.544 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.11 149.67 88.03 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.894 2.396 . . . . 1.0 111.978 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -56.1 136.78 47.91 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.874 -0.89 . . . . 1.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 85.3 mt -107.3 128.31 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.848 0.356 . . . . 1.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -149.81 -6.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.539 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -79.54 128.74 33.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.552 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -169.68 159.61 32.4 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 44.3 t 39.09 71.86 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.939 0.399 . . . . 1.0 110.83 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . 0.406 ' OE2' ' N ' ' B' ' 266' ' ' GLU . 58.6 mp0 -67.29 -38.87 85.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.624 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -155.36 141.17 18.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.471 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -140.61 104.58 4.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.421 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -86.32 131.0 10.25 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.09 110.68 26.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 1.0 110.382 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -109.18 3.43 21.82 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.448 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.6 -45.61 93.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.539 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 54.9 92.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.46 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -67.11 142.38 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.581 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 18.7 tptp 60.65 98.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.604 HD13 ' O ' ' B' ' 276' ' ' LEU . 0.2 OUTLIER -62.13 -44.21 97.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.841 -179.202 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' B' ' 279' ' ' GLU . 6.9 tpt180 71.81 -52.89 0.69 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.896 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 48.46 -86.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.639 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' B' ' 277' ' ' ARG . 41.4 tt0 58.0 104.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.518 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . 0.513 ' CG ' ' O ' ' B' ' 280' ' ' TRP . 74.8 t-105 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.509 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -63.22 -40.24 96.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 m 47.46 -169.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.419 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -86.86 161.61 18.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.002 -179.774 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . 70.87 -62.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.509 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 8' ' ' ASP . . . 79.59 -161.36 46.32 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.408 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 60.3 mt -65.53 71.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.918 0.39 . . . . 1.0 110.279 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 6' ' ' GLY . 2.8 p30 45.31 32.04 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.586 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.1 mtp -85.98 126.43 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.317 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -61.45 121.49 26.3 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HD2' HD11 ' B' ' 213' ' ' LEU . 61.0 ttp180 -74.1 130.75 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.654 0.264 . . . . 1.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -134.57 142.22 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.919 0.39 . . . . 1.0 110.088 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.9 mp -98.97 126.5 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.256 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.8 tp -114.18 128.4 56.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.0 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -109.15 111.11 22.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.505 ' O ' ' SD ' ' B' ' 209' ' ' MET . 82.5 mt -104.68 -162.28 0.88 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.056 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -130.16 152.17 49.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.758 0.313 . . . . 1.0 110.284 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -51.27 -39.27 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.418 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.8 -38.73 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.54 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.5 -45.01 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.413 . . . . 1.0 110.754 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.24 -34.69 22.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 1.0 109.929 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.83 -40.35 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.168 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.06 -47.5 79.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.104 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.5 -41.91 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.78 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -58.21 -41.31 83.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.332 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -58.34 -40.75 82.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.04 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.19 -30.58 65.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.65 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 32' ' ' ASN . 40.3 mt-10 -70.63 -40.84 72.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.805 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.88 -49.66 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.78 -45.37 94.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.59 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' NH1' HD22 ' A' ' 38' ' ' LEU . 78.2 mtp180 -84.51 -14.84 47.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.768 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 28' ' ' GLU . 15.4 m120 55.48 40.91 31.29 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.536 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.4 mt -133.59 151.87 78.01 Favored Pre-proline 0 N--CA 1.463 0.178 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.03 151.56 84.06 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.551 2.167 . . . . 1.0 112.161 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 36' ' ' ALA . 20.7 ptp180 -64.3 -45.82 86.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.284 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 35' ' ' ARG . . . -45.59 -41.24 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.104 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.66 -38.67 84.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.542 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.523 HD22 ' NH1' ' A' ' 31' ' ' ARG . 97.5 mt -67.87 -39.46 83.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.647 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.22 -45.28 94.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -56.34 -42.64 78.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.127 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 81.0 mm-40 -68.71 -36.98 79.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.445 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.73 81.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.08 -54.21 37.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 120.694 -0.403 . . . . 1.0 110.463 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -53.46 -50.95 64.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.128 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 1.8 mp0 -65.06 -37.6 88.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.408 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' GLN . 83.2 t80 -61.01 -44.65 97.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.551 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.42 HD23 HD11 ' B' ' 227' ' ' LEU . 8.7 mt -57.4 -47.94 80.39 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.756 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.5 mt -73.05 -48.91 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.182 0.515 . . . . 1.0 110.846 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 51' ' ' SER . 5.7 t-20 -67.49 -14.76 63.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.926 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' SER . 1.7 tm0? -43.45 -13.87 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.646 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.5 p 83.34 50.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.534 0.683 . . . . 1.0 111.104 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.513 ' C ' ' H ' ' A' ' 54' ' ' ALA . 3.9 tp-100 -56.63 80.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.518 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 51' ' ' SER . 54.4 p 51.36 8.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.571 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' H ' ' C ' ' A' ' 52' ' ' GLN . . . -72.76 142.92 48.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.48 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 54' ' ' ALA . 15.5 tpp180 43.95 97.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -59.19 -44.54 92.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.667 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.2 p -76.3 138.54 40.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.493 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 57' ' ' SER . 12.8 m -154.33 59.03 2.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 161.61 45.25 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.786 2.324 . . . . 1.0 112.026 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.83 32.4 11.13 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.072 -0.811 . . . . 1.0 111.072 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -41.5 160.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.948 0.404 . . . . 1.0 110.534 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -66.76 105.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.542 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -93.88 -24.02 17.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.499 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.81 32.56 70.34 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.49 121.07 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.507 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -136.25 141.68 43.94 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.484 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -76.1 88.27 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.429 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -84.47 113.5 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.31 -158.37 20.88 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.635 -0.986 . . . . 1.0 110.635 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.0 p -132.86 142.82 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.77 0.319 . . . . 1.0 110.615 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 71' ' ' GLU . 56.9 mp0 -69.68 -164.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.1 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.18 138.56 52.86 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.711 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 44.86 86.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.395 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -86.59 144.6 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.465 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -118.47 146.95 44.11 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.115 0.483 . . . . 1.0 110.62 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.1 mt 55.89 -167.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.323 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -83.53 139.0 33.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.4 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.33 139.83 54.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.576 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -88.0 -0.15 56.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.512 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.532 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.42 ' HG2' ' H ' ' B' ' 203' ' ' SER . 44.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.206 -0.664 . . . . 1.0 109.206 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . 0.45 ' O ' ' O ' ' B' ' 203' ' ' SER . 26.0 p-10 -63.2 -35.17 79.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.565 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . 0.45 ' O ' ' O ' ' B' ' 202' ' ' ASN . 15.6 t 56.59 118.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 78.4 mt -87.49 9.12 21.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.352 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -56.58 145.28 28.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 84.55 147.74 8.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.391 -1.084 . . . . 1.0 110.391 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 28.6 mm -108.79 114.38 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 120.796 0.331 . . . . 1.0 110.227 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.45 ' OD2' ' O ' ' B' ' 208' ' ' ASP . 61.9 t0 -118.23 23.23 11.71 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.292 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' A' ' 16' ' ' LEU . 9.0 mmm -105.26 -179.29 3.9 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.208 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -115.65 -7.55 15.57 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 111.149 -0.78 . . . . 1.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' B' ' 210' ' ' GLY . 60.1 ttp180 58.16 133.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.026 0.441 . . . . 1.0 110.419 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.503 ' CD1' HD12 ' A' ' 16' ' ' LEU . 95.6 mt -140.76 154.99 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.13 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.503 HD11 ' HD2' ' A' ' 11' ' ' ARG . 9.8 tp -113.87 140.08 48.65 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.602 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.686 HD23 ' H ' ' B' ' 215' ' ' ASP . 0.4 OUTLIER -143.09 146.93 34.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.766 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.686 ' H ' HD23 ' B' ' 214' ' ' LEU . 92.3 m-20 -114.59 115.3 26.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.694 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 10' ' ' GLY . 4.1 mm? -115.51 145.76 42.32 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.873 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 65.4 m -59.03 -160.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.344 -0.844 . . . . 1.0 109.819 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -107.2 -22.24 12.68 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.669 0.271 . . . . 1.0 110.52 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . 0.558 ' OE2' ' N ' ' B' ' 219' ' ' GLU . 55.4 mp0 -75.97 -32.8 59.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.692 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.49 -45.07 79.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.77 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 81.8 mt -52.96 -34.11 20.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 1.0 109.897 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.53 -39.97 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.206 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -66.19 -46.95 75.54 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.004 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.68 -41.98 99.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.88 -40.12 91.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.212 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.91 -38.83 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.033 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . 0.42 HD11 HD23 ' A' ' 47' ' ' LEU . 95.5 mt -73.24 -29.3 62.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.678 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' B' ' 232' ' ' ASN . 41.3 mt-10 -70.65 -39.04 73.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.852 0.358 . . . . 1.0 110.752 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.1 -49.41 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -63.4 -46.11 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.674 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -82.92 -14.17 54.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.71 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' B' ' 228' ' ' GLU . 76.8 m-20 51.31 46.89 25.81 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.786 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -135.91 158.09 74.64 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 109.8 -0.444 . . . . 1.0 109.8 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.68 148.7 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.741 2.294 . . . . 1.0 112.808 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 235' ' ' ARG . 39.3 ttp-105 -60.39 -44.81 95.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.355 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.92 -41.14 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.249 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -65.53 -37.55 87.07 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.575 ' HG ' HD21 ' B' ' 233' ' ' LEU . 42.4 mt -66.48 -42.3 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.867 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.18 -46.84 82.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.819 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.63 -44.05 93.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.97 -38.21 82.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.767 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.17 96.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.82 -52.15 53.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.149 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -52.08 -47.34 65.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.933 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.98 -41.71 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.846 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.55 -41.72 95.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.62 -41.95 99.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.799 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.52 -44.44 98.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.049 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' B' ' 251' ' ' SER . 52.7 t30 -63.98 -39.21 93.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.125 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -79.45 32.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.529 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . 0.408 ' H ' ' C ' ' B' ' 249' ' ' ASN . 15.1 m -164.89 59.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.624 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -85.35 83.97 7.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 3.5 p 44.04 33.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -118.09 84.63 2.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.347 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -84.13 139.87 32.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.335 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 59.9 p -97.22 167.3 11.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.608 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 42.7 m -73.02 178.89 4.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.336 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.44 60.23 51.09 Favored Pre-proline 0 N--CA 1.465 0.306 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.85 158.66 54.92 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.841 2.361 . . . . 1.0 112.093 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -56.52 155.88 13.39 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.722 -0.951 . . . . 1.0 110.722 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . 0.437 ' O ' HG23 ' B' ' 261' ' ' ILE . 20.0 tt -95.63 130.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.88 0.372 . . . . 1.0 110.562 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 61.0 t-105 -63.93 -43.08 96.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.417 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.68 110.6 22.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.023 0.439 . . . . 1.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -71.9 103.14 1.23 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 1.7 t -62.88 -29.17 70.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.953 0.406 . . . . 1.0 110.603 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.78 -34.65 78.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.478 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 55.95 -110.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.521 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -80.22 -5.13 55.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.582 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 87.29 164.64 40.37 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 272' ' ' TYR . 31.1 m -79.89 -12.0 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 1.0 110.561 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -41.41 92.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.76 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' B' ' 270' ' ' VAL . 88.1 t80 -81.71 131.96 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.51 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . 0.497 ' O ' ' CE2' ' B' ' 272' ' ' TYR . 65.8 tt0 -68.08 127.26 32.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.424 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -74.34 141.7 45.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.637 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -159.28 97.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.351 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.586 HD12 ' N ' ' B' ' 276' ' ' LEU . 9.7 mp -89.25 134.02 34.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.467 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.15 139.09 46.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.467 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -162.67 120.53 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.696 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -70.0 -38.63 76.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.601 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.929 -1.034 . . . . 1.0 110.626 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 4' ' ' LEU . 52.1 t-20 -87.11 75.6 9.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t -61.73 -42.19 98.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.693 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 4' ' ' LEU . 8.8 mp -77.4 135.45 38.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.461 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -172.56 -75.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.472 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 166.4 101.96 0.16 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 pt -95.36 96.83 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.217 0.532 . . . . 1.0 110.527 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.5 t0 48.21 73.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.492 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 72.2 mtp -134.55 -179.05 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.78 140.02 10.41 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -91.32 147.53 22.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 1.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' B' ' 214' ' ' LEU . 8.1 mm -134.13 154.93 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.581 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' N ' HG22 ' A' ' 12' ' ' ILE . 37.3 tp -116.62 121.47 41.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -127.81 138.17 52.63 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.455 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 41.1 p-10 -115.0 113.99 24.83 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.801 0.334 . . . . 1.0 110.793 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -114.7 139.49 49.62 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.766 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -56.99 157.43 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.251 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.712 HD22 ' H ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -65.53 -26.67 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.577 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.712 ' H ' HD22 ' A' ' 18' ' ' ASN . 79.6 tt0 -67.74 -38.9 84.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.554 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.19 -43.24 81.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.533 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.6 -36.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -66.08 -40.59 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.274 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -63.64 -48.91 75.32 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.749 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.88 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.646 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -42.87 82.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -61.76 -42.84 99.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 1.0 110.195 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.19 -33.3 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.746 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 32' ' ' ASN . 33.5 mt-10 -65.12 -43.29 92.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.83 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.6 t -63.44 -44.29 98.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -67.49 -40.48 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 39.1 mmm-85 -88.21 -3.47 58.86 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.808 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 28' ' ' GLU . 5.0 p-10 43.6 41.37 3.42 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.544 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -135.08 150.55 73.3 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.943 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.52 152.48 78.42 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.541 2.161 . . . . 1.0 112.058 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -62.47 -40.31 96.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.7 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 -46.65 52.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.368 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -65.13 -42.14 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.53 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.81 -41.46 95.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.797 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.58 -41.95 99.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.734 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -60.57 -43.54 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.188 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.31 -44.52 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.658 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.95 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.583 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.72 -53.66 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.839 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -56.84 -44.79 82.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.322 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -54.84 -45.36 74.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.695 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -64.83 -45.18 87.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 51' ' ' SER . 49.4 mt -62.61 -44.85 95.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.155 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.7 mt -54.35 -39.27 43.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 C-N-CA 120.791 -0.364 . . . . 1.0 110.482 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -85.18 -29.75 24.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.789 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.654 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.9 tp-100 -96.64 -72.33 0.64 Allowed 'General case' 0 N--CA 1.435 -1.207 0 CA-C-O 118.37 -0.824 . . . . 1.0 109.768 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.6 p 29.79 -82.24 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.987 1.43 . . . . 1.0 110.678 178.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.654 ' N ' ' O ' ' A' ' 50' ' ' GLN . 73.2 mt-30 -46.86 147.37 1.33 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.996 -1.456 . . . . 1.0 110.153 177.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.8 m -126.85 128.08 45.97 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.533 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.2 34.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.49 ' CZ ' HE22 ' A' ' 50' ' ' GLN . 96.4 mtt180 -91.97 102.94 15.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.441 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.5 m -88.3 -12.87 42.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.459 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 t 63.55 139.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.289 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.9 m -141.87 60.81 11.7 Favored Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.63 154.7 70.94 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.698 2.265 . . . . 1.0 111.989 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.4 92.39 0.9 Allowed Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.663 -0.975 . . . . 1.0 110.663 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.3 pt -92.86 142.99 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.859 0.361 . . . . 1.0 110.488 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -59.46 -36.9 76.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.87 130.06 41.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.48 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.73 129.46 2.59 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 110.718 -0.953 . . . . 1.0 110.718 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 75.0 m -125.4 151.86 45.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.881 0.372 . . . . 1.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 68' ' ' ASP . 17.3 pt-20 -151.14 -179.95 7.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.537 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.69 40.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.565 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' A' ' 66' ' ' GLU . 49.8 p30 -58.29 168.05 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.586 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.88 106.16 0.39 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -138.45 142.41 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.939 0.399 . . . . 1.0 110.334 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -156.15 79.29 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.571 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.02 128.73 37.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.544 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -79.11 115.53 18.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.351 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -79.33 131.19 36.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.574 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -139.46 135.38 33.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.522 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 76' ' ' LEU . 9.6 mp -72.88 56.74 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -60.98 -42.61 98.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.592 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 57.06 106.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.513 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -65.59 -42.8 91.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.453 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.53 ' O ' ' N ' ' B' ' 203' ' ' SER . 12.2 ptt? . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 8.2 m120 51.76 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.608 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . 0.53 ' N ' ' O ' ' B' ' 201' ' ' MET . 15.3 m 47.86 56.07 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.506 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.632 HD22 ' N ' ' B' ' 204' ' ' LEU . 3.5 mm? 57.88 145.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.898 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.39 88.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.676 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 148.0 -177.28 26.37 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' B' ' 209' ' ' MET . 1.1 tt -92.92 99.62 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-O 121.249 0.547 . . . . 1.0 110.086 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' B' ' 209' ' ' MET . 2.4 p30 42.51 21.18 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.541 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . 0.518 ' N ' ' O ' ' B' ' 207' ' ' ILE . 54.7 mmm 45.51 -172.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.213 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' B' ' 211' ' ' ARG . . . -113.58 -8.54 18.59 Favored Glycine 0 N--CA 1.466 0.7 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' B' ' 210' ' ' GLY . 80.7 ttt180 56.2 117.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 1.0 110.163 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.4 mm -121.41 147.37 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . . . . . . . . . 22.2 tp -110.42 121.09 44.45 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.215 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 12' ' ' ILE . 41.8 tp -128.96 140.11 51.8 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.776 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' B' ' 215' ' ' ASP . 22.2 p30 -127.7 123.88 36.51 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.454 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' B' ' 217' ' ' SER . 63.4 mt -122.59 152.72 40.15 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.623 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . 0.615 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.1 OUTLIER -47.31 -158.76 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.876 0.735 . . . . 1.0 110.664 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -106.18 -39.1 6.06 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 122.034 -0.416 . . . . 1.0 110.94 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -32.27 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.352 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.26 -47.6 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.467 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.18 -33.91 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.2 -39.67 89.83 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.719 -0.475 . . . . 1.0 109.719 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.98 -46.7 88.09 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' B' ' 224' ' ' LEU . 3.4 mm? -62.53 -43.68 98.21 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.912 -0.315 . . . . 1.0 110.677 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.82 -47.88 81.37 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 123.553 0.533 . . . . 1.0 110.466 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.61 -47.13 87.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . 0.419 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.2 mt -65.86 -34.14 77.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.915 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' B' ' 233' ' ' LEU . 3.6 tm-20 -65.75 -42.5 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.033 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.876 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.83 -42.99 72.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.976 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.472 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.5 mmm180 -68.4 -38.61 81.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.661 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 50.2 t30 73.39 48.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.17 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.606 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.83 158.72 32.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.51 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.16 145.13 93.87 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.492 2.128 . . . . 1.0 112.235 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -61.44 -38.75 88.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.353 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.26 54.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.122 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.09 -40.64 98.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 109.996 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.453 HD21 ' HE ' ' B' ' 231' ' ' ARG . 83.0 mt -63.38 -43.34 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.088 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.68 -44.09 94.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.22 -42.43 90.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.359 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.24 -39.28 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.56 93.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.501 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.06 -53.62 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.473 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -53.86 -48.45 69.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.856 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -56.79 -42.72 79.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.73 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -63.08 -43.2 99.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.481 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.29 -45.11 95.84 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.529 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' B' ' 250' ' ' GLN . 89.1 mt -53.92 -43.4 57.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -46.59 -14.98 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.518 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' B' ' 248' ' ' ILE . 23.3 mt-30 -54.87 -40.76 70.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.768 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 32.6 t -134.01 100.71 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 1.0 110.504 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -159.04 -12.54 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.393 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 99.6 m -61.66 -47.87 83.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.745 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 50.06 -166.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -92.21 97.25 10.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.488 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 258' ' ' VAL . 50.3 p -69.31 -31.16 69.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.584 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 46.3 t 56.18 -80.93 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.655 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' B' ' 256' ' ' THR . 3.4 m -147.06 151.47 41.32 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.76 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -44.48 133.42 9.67 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.433 2.089 . . . . 1.0 112.084 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 145.8 106.2 0.48 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . 0.487 HG23 ' N ' ' B' ' 262' ' ' TRP . 10.4 tp -67.61 -41.17 85.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.849 0.357 . . . . 1.0 110.675 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . 0.487 ' N ' HG23 ' B' ' 261' ' ' ILE . 91.4 t90 -83.34 113.58 20.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.213 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -108.16 144.72 35.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.209 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -160.69 55.1 0.33 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 1.6 p -62.28 -42.68 99.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.328 . . . . 1.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.6 136.96 57.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.388 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -120.57 124.92 46.49 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.435 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -42.19 98.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.354 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 93.36 110.73 2.06 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.7 -0.96 . . . . 1.0 110.7 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' B' ' 272' ' ' TYR . 14.7 p -140.76 138.23 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.691 0.282 . . . . 1.0 110.404 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 47.19 -87.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.572 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . 0.546 ' N ' ' O ' ' B' ' 270' ' ' VAL . 64.5 t80 -167.28 40.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.515 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 51.87 -108.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.56 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -78.46 136.38 37.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.77 0.319 . . . . 1.0 110.553 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -89.27 138.72 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.519 ' N ' HD22 ' B' ' 276' ' ' LEU . 4.0 mm? -63.78 -42.18 97.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.849 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -173.7 -2.09 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.625 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.64 136.35 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.399 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . 0.518 ' OE2' ' N ' ' B' ' 280' ' ' TRP . 2.9 pp20? -90.08 -168.68 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 1.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . 0.518 ' N ' ' OE2' ' B' ' 279' ' ' GLU . 65.7 p-90 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.725 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.544 ' O ' ' N ' ' A' ' 3' ' ' SER . 97.5 mmm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.8 t30 55.71 -79.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 1' ' ' MET . 2.6 m 54.7 99.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 5' ' ' ALA . 56.3 mt 55.92 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.718 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' SER . . . 50.0 176.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.402 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.77 62.4 0.04 OUTLIER Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.788 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -84.27 2.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.969 0.414 . . . . 1.0 110.417 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -107.06 12.81 28.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.787 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.414 ' SD ' ' OG ' ' B' ' 217' ' ' SER . 90.5 mmm -75.7 114.6 14.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.688 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.26 129.55 14.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -84.26 145.01 28.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 1.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' C ' HD22 ' A' ' 13' ' ' LEU . 64.9 mt -139.49 149.51 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.579 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.9 mm? -95.4 123.88 39.15 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 120.989 0.423 . . . . 1.0 110.669 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.728 HD21 HD13 ' B' ' 239' ' ' LEU . 0.8 OUTLIER -114.12 130.3 56.59 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.437 -0.801 . . . . 1.0 111.08 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -101.58 111.06 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.616 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' B' ' 210' ' ' GLY . 20.8 mt -124.55 132.96 53.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.514 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -58.02 155.01 11.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.397 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -59.97 -36.65 77.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.425 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 19' ' ' GLU . 54.2 mp0 -56.57 -36.19 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.621 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.57 -43.16 80.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.941 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.7 mm -52.97 -40.68 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.087 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -63.69 -40.24 96.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.312 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.02 -47.18 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.067 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 73.0 mt -58.19 -44.3 87.97 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.401 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.63 ' O ' HG23 ' A' ' 29' ' ' VAL . 27.5 t70 -62.14 -34.77 76.99 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.954 0.406 . . . . 1.0 110.667 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -66.44 -50.29 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.449 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 pp -79.53 -28.89 41.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.289 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 78.1 tt0 -75.66 -38.23 58.96 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.975 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 25' ' ' ASP . 40.7 t -65.41 -45.99 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.224 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -67.46 -36.69 81.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.579 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -71.73 -17.91 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.62 41.02 32.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.4 mt -137.73 152.23 72.16 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.795 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -62.87 144.41 93.36 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.565 2.177 . . . . 1.0 112.145 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 36' ' ' ALA . 49.7 ptt85 -60.49 -39.91 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.323 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 35' ' ' ARG . . . -49.16 -41.25 35.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.097 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.03 -42.8 80.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.748 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.86 -42.53 85.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.63 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.72 HD13 HD21 ' B' ' 214' ' ' LEU . 84.2 mt -63.17 -45.53 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -57.7 -43.46 85.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.296 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -65.25 -41.04 94.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.533 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.365 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.5 -53.39 32.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -51.96 -43.24 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.94 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -56.58 -38.85 72.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.49 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' OH ' ' NH1' ' B' ' 231' ' ' ARG . 51.4 t80 -62.41 -40.48 96.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.389 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.57 -40.57 87.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.656 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mm -58.78 -46.78 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' THR . 44.6 t-20 -62.86 -41.1 99.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' OE1' ' NH2' ' B' ' 231' ' ' ARG . 15.1 mm100 -57.44 -43.73 84.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.6 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.4 m -59.03 -42.84 91.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.439 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -87.12 -9.21 55.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.424 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' ASN . 73.1 p 49.51 -175.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.469 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.5 137.29 57.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.442 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -136.45 140.03 42.81 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.357 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.1 m 56.95 104.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.557 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -71.25 163.99 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.42 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.61 73.17 29.57 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.992 0.425 . . . . 1.0 110.543 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -59.89 146.92 94.57 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.788 2.326 . . . . 1.0 111.936 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.07 -88.02 0.01 OUTLIER Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.6 pt -133.46 155.95 41.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.328 . . . . 1.0 110.712 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -74.03 -76.94 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.389 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -165.37 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.598 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.12 94.44 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' GLU . 48.9 t 47.97 83.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 1.0 110.638 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 46.02 -94.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.565 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' CYS . 81.4 tt0 56.4 77.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.447 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.0 85.81 7.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.465 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.61 -30.39 64.25 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 72' ' ' TYR . 15.0 p -60.32 -26.47 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.616 0.246 . . . . 1.0 110.599 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -39.62 92.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.683 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -107.87 156.26 19.37 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.467 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.476 ' C ' ' H ' ' A' ' 75' ' ' LYS . 67.5 tp60 -65.65 -44.67 85.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.645 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.459 ' HE ' ' CA ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER 53.92 7.09 0.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.838 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 73' ' ' GLN . 98.4 mttt 42.23 24.78 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.578 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' ARG . 50.3 tp -62.13 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.653 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -100.74 134.69 43.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.467 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -75.83 142.22 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -152.46 146.63 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.646 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.514 ' CD1' ' OXT' ' A' ' 80' ' ' TRP . 76.8 t-105 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.503 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' B' ' 201' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . 0.409 ' H ' ' CG ' ' B' ' 201' ' ' MET . 98.6 m-20 55.89 35.26 25.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.423 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 22.9 t -146.42 114.38 6.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.541 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.63 34.28 0.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.325 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -162.62 61.51 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.627 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 157.76 42.31 0.02 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 1.1 tt -102.61 114.0 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 120.969 0.414 . . . . 1.0 110.055 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 54.5 t0 59.46 73.82 0.47 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.537 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 85.4 mtp -82.03 138.09 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.363 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -50.35 119.4 7.15 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.633 -0.987 . . . . 1.0 110.633 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -97.47 120.59 38.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 1.0 110.52 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 4.9 mp -135.74 150.2 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.53 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.517 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.8 mp -94.4 130.67 40.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.15 0.5 . . . . 1.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 39' ' ' LEU . 1.3 mm? -111.85 131.48 55.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.345 -0.843 . . . . 1.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.438 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 44.7 p-10 -103.63 114.81 29.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.718 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 75.7 mt -134.14 137.68 44.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . 0.414 ' OG ' ' SD ' ' A' ' 9' ' ' MET . 4.9 m -57.33 152.31 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.269 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . 0.558 HD22 ' N ' ' B' ' 219' ' ' GLU . 0.3 OUTLIER -63.3 -23.72 67.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.552 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . 0.558 ' N ' HD22 ' B' ' 218' ' ' ASN . 99.0 mt-10 -67.46 -35.67 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.538 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.39 -43.62 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.356 -0.383 . . . . 1.0 110.835 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 88.4 mt -53.01 -38.3 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.152 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.66 -46.84 77.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.931 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.92 -44.19 97.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.369 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.72 -37.5 86.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.388 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.51 -40.86 98.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.491 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 17.2 mt -79.05 -28.46 43.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.918 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' B' ' 233' ' ' LEU . 14.5 tm-20 -62.62 -40.6 97.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.783 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.18 -42.28 87.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.171 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.18 -47.73 71.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.879 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.437 ' NH1' ' OH ' ' A' ' 46' ' ' TYR . 99.4 mtt180 -86.84 -32.51 20.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.598 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.481 ' C ' HD12 ' B' ' 233' ' ' LEU . 47.8 t30 70.72 37.9 1.32 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.644 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.481 HD12 ' C ' ' B' ' 232' ' ' ASN . 9.0 mp -115.23 157.18 44.39 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.53 141.62 95.82 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.482 2.122 . . . . 1.0 111.976 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 235' ' ' ARG . 34.0 ttm105 -60.18 -43.71 95.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.493 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -48.36 -40.94 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.192 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -66.23 -40.74 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.204 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.03 -44.36 89.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.603 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 14' ' ' LEU . 87.8 mt -68.22 -47.56 67.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.227 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.49 -43.56 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.94 -38.36 86.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.493 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.48 79.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.181 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 88.3 t -67.86 -52.69 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.274 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -50.95 -41.15 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.6 -0.518 . . . . 1.0 109.6 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -62.24 -40.25 95.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.829 0.347 . . . . 1.0 110.417 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -62.53 -43.74 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.556 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.87 -45.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -66.71 -40.84 88.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.894 0.378 . . . . 1.0 110.319 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -83.82 21.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.504 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 22.6 t -92.73 -16.5 25.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.842 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -143.43 154.3 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.485 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 255' ' ' ARG . 26.3 m -145.52 89.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.506 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . 49.08 -86.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.712 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' B' ' 253' ' ' THR . 12.4 tpt180 -157.17 -71.86 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 32.1 m 46.94 73.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.592 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 50.6 m -80.69 -51.12 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 3.3 m -85.39 151.01 55.65 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.722 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -43.04 131.33 6.04 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.511 2.141 . . . . 1.0 112.056 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' B' ' 262' ' ' TRP . . . -100.99 47.54 1.2 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 39.9 pt -75.03 36.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 1.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . 0.451 ' H ' ' C ' ' B' ' 260' ' ' GLY . 95.8 m95 -82.94 138.23 33.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.513 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 48.19 78.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.601 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -88.07 100.37 2.61 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 53.0 t -83.07 -42.34 17.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 1.0 110.615 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . 0.535 ' N ' ' OE2' ' B' ' 266' ' ' GLU . 58.1 mp0 -81.83 111.21 17.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.705 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -68.39 -37.76 80.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.497 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 47.3 t0 58.65 30.84 20.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.549 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' B' ' 271' ' ' GLU . . . 156.02 -168.47 33.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . 0.418 HG12 ' H ' ' B' ' 272' ' ' TYR . 16.6 t 57.81 -76.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.668 0.271 . . . . 1.0 110.595 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 269' ' ' GLY . 72.9 mm-40 54.0 35.17 21.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.569 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . 0.541 ' CE2' ' O ' ' B' ' 273' ' ' GLN . 76.2 t80 -135.84 149.27 49.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.412 . . . . 1.0 110.442 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . 0.576 ' CD ' ' H ' ' B' ' 273' ' ' GLN . 0.1 OUTLIER -97.83 143.57 28.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.361 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 273' ' ' GLN . 79.8 mtp85 56.35 156.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -142.54 126.44 17.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.528 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.556 HD12 ' N ' ' B' ' 276' ' ' LEU . 9.8 mp -93.59 126.21 38.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.993 0.425 . . . . 1.0 110.066 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 278' ' ' GLU . 72.1 ttp85 -79.43 -84.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.71 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' B' ' 277' ' ' ARG . 43.5 tp10 38.7 94.2 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.545 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.6 -42.93 98.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.666 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 99.0 m95 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.663 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptp . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 2' ' ' ASN . 49.4 p-10 -154.82 132.18 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.579 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -66.7 -19.87 65.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.2 mp -62.61 -42.02 99.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.438 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.44 144.24 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.456 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.95 138.11 10.15 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.718 -0.953 . . . . 1.0 110.718 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.476 ' O ' ' SD ' ' A' ' 9' ' ' MET . 84.2 mt -90.01 80.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 1.0 110.246 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.513 ' O ' ' ND2' ' B' ' 218' ' ' ASN . 66.3 t0 45.51 43.67 9.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.594 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.476 ' SD ' ' O ' ' A' ' 7' ' ' ILE . 20.9 mmm -79.38 174.33 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.077 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 11' ' ' ARG . . . -118.24 -5.19 13.31 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' GLY . 60.9 ttp180 57.81 121.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.005 0.431 . . . . 1.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mm -131.98 143.87 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.546 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.6 mt -99.62 129.93 45.81 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.577 -0.738 . . . . 1.0 110.506 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD13 HD13 ' B' ' 239' ' ' LEU . 45.1 tp -125.2 133.75 52.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.75 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' B' ' 210' ' ' GLY . 64.2 t0 -111.49 113.87 26.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.996 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 mt -124.53 144.49 50.09 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -58.59 154.04 15.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.092 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.468 HD22 HG21 ' B' ' 207' ' ' ILE . 69.9 m-80 -64.81 -37.58 88.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.756 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -57.29 -36.63 71.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.612 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.75 -43.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.8 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.35 -37.99 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -64.53 -39.3 93.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.196 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -65.7 -49.03 70.02 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.001 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.47 -39.67 91.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -56.33 -47.66 78.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.448 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.03 -46.35 88.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 1.0 110.564 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.65 -34.86 72.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.934 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 69.2 tt0 -66.69 -41.97 87.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.881 0.372 . . . . 1.0 110.599 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.3 t -66.71 -44.23 89.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -61.19 -39.24 89.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.665 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.549 ' NH1' ' OH ' ' B' ' 246' ' ' TYR . 81.0 mtp180 -84.14 -4.83 59.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 18.9 p30 43.72 43.29 4.84 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.431 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.9 mt -134.7 152.85 78.36 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.55 145.56 98.56 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.515 2.143 . . . . 1.0 112.216 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' N ' ' OE2' ' A' ' 28' ' ' GLU . 80.8 ttt180 -63.63 -42.4 98.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.261 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.15 -40.83 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.248 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.29 -38.64 91.77 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' NH1' ' A' ' 31' ' ' ARG . 99.3 mt -62.44 -44.11 97.2 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD13 HD13 ' B' ' 214' ' ' LEU . 90.6 mt -64.16 -43.73 94.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.021 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -57.28 -46.33 83.21 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.322 0.582 . . . . 1.0 110.125 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.55 -40.63 76.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.234 -0.894 . . . . 1.0 110.487 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.48 -48.77 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.56 -51.52 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.059 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -52.83 -48.02 67.29 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.693 -0.484 . . . . 1.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -64.1 -37.28 86.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.968 0.413 . . . . 1.0 110.245 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.618 ' CE2' ' NE2' ' A' ' 50' ' ' GLN . 49.3 t80 -61.52 -43.2 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.38 -39.95 92.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.658 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.492 ' O ' ' O ' ' A' ' 51' ' ' SER . 95.8 mt -61.45 -44.24 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 51' ' ' SER . 51.3 t30 -61.5 -34.56 75.71 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 119.993 -0.683 . . . . 1.0 109.959 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.618 ' NE2' ' CE2' ' A' ' 46' ' ' TYR . 0.9 OUTLIER -70.09 39.65 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.635 -0.711 . . . . 1.0 109.851 179.175 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 49' ' ' ASN . 1.1 t 83.78 -161.89 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 51' ' ' SER . 6.6 tt0 80.49 67.37 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 O-C-N 123.792 0.682 . . . . 1.0 110.731 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.44 ' O ' ' O ' ' A' ' 52' ' ' GLN . 27.2 m 53.38 107.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.472 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' ARG . . . -157.97 36.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.598 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 54' ' ' ALA . 2.1 mpt_? 56.34 157.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.305 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.8 p -91.17 162.88 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.331 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -151.22 -53.24 0.13 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.176 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.2 143.68 16.04 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.192 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -45.02 133.43 11.08 Favored 'Trans proline' 0 C--N 1.312 -1.353 0 C-N-CA 122.08 1.854 . . . . 1.0 112.153 177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.21 125.69 38.39 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.722 -0.951 . . . . 1.0 110.722 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -99.11 110.57 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.79 0.329 . . . . 1.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.1 m-90 -90.4 -46.08 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.592 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -81.86 148.21 28.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.466 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.35 50.75 0.83 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.0 m 64.83 164.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 1.0 110.564 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 56.1 mp0 -77.24 139.46 39.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.501 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.6 mp0 -79.67 168.66 19.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.643 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.31 141.88 58.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.374 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.28 -19.53 0.47 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' CE2' ' A' ' 72' ' ' TYR . 35.0 m -134.59 33.9 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.82 0.343 . . . . 1.0 110.579 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 72' ' ' TYR . 17.4 pt-20 -74.27 -3.76 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.664 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.471 ' CE2' ' O ' ' A' ' 70' ' ' VAL . 68.3 m-85 59.01 145.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.557 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.615 ' CD ' ' H ' ' A' ' 73' ' ' GLN . 2.6 pm0 -45.65 173.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.454 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -90.92 9.88 28.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.619 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 54.98 84.77 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.668 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.551 ' N ' HD22 ' A' ' 76' ' ' LEU . 4.0 mm? -63.33 -41.85 98.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.596 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -81.94 143.45 31.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -129.09 133.26 47.6 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 53.25 97.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.492 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.518 ' O ' ' CD2' ' A' ' 80' ' ' TRP . 79.0 t90 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.426 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 50.9 ttp . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -81.97 148.48 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 50.5 m 54.47 101.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.568 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.613 ' N ' HD12 ' B' ' 204' ' ' LEU . 8.7 mp -75.86 142.63 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.377 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' B' ' 204' ' ' LEU . . . 71.36 -44.21 0.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' B' ' 204' ' ' LEU . . . 88.46 120.03 1.63 Allowed Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . 0.468 HG21 HD22 ' A' ' 18' ' ' ASN . 4.3 mp -104.41 116.0 47.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 CA-C-O 121.262 0.553 . . . . 1.0 110.212 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -76.89 37.02 0.18 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.525 -0.762 . . . . 1.0 110.597 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . 0.42 ' H ' ' C ' ' B' ' 207' ' ' ILE . 78.1 mtp 44.2 -164.23 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.421 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 15' ' ' ASP . . . -130.32 172.3 20.34 Favored Glycine 0 N--CA 1.465 0.583 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -123.84 129.91 51.77 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.861 0.362 . . . . 1.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.56 141.07 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.257 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.492 HD12 ' N ' ' B' ' 213' ' ' LEU . 11.3 mp -100.91 128.51 46.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.415 HD13 HD13 ' A' ' 39' ' ' LEU . 35.5 tp -124.05 134.68 53.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.538 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.445 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 43.4 p-10 -104.09 110.75 23.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.617 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.561 ' O ' ' O ' ' B' ' 217' ' ' SER . 53.6 mt -115.41 136.62 52.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.646 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . 0.561 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.2 OUTLIER -50.46 -157.5 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.949 0.781 . . . . 1.0 110.07 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 84.6 m-20 -110.94 -38.52 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.847 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.97 -32.03 72.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.684 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 79.8 t -68.09 -42.94 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.807 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.18 -38.0 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.652 -0.499 . . . . 1.0 109.652 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -64.0 -39.47 94.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.35 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.81 -47.15 81.99 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.177 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.93 -42.54 99.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.654 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . 0.434 ' O ' HG23 ' B' ' 229' ' ' VAL . 50.2 t0 -62.17 -44.11 97.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -61.68 -44.21 97.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.605 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.3 mp -74.24 -28.75 61.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.612 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -68.7 -38.83 80.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.212 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 225' ' ' ASP . 57.8 t -60.91 -43.99 96.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.591 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.57 -41.94 92.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 1.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.21 -30.0 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.618 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 60.59 45.34 10.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.33 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 14.8 mt -139.04 154.12 72.2 Favored Pre-proline 0 N--CA 1.467 0.389 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.987 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.6 144.36 99.44 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.193 1.929 . . . . 1.0 111.968 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' B' ' 236' ' ' ALA . 37.2 ptt-85 -58.59 -42.34 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.386 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -50.05 -38.92 40.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.137 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -70.27 -41.14 73.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.1 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.0 -42.53 97.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.46 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . 0.458 HD13 HD13 ' A' ' 14' ' ' LEU . 86.1 mt -63.63 -42.64 98.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.65 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.03 -42.32 98.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.262 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.29 -39.15 93.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.506 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.74 95.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.515 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.56 -52.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.638 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -53.63 -45.67 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.088 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.64 -42.59 71.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.519 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . 0.549 ' OH ' ' NH1' ' A' ' 31' ' ' ARG . 81.9 t80 -63.54 -42.59 98.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.041 0.448 . . . . 1.0 110.639 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.6 -38.13 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.781 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.74 -43.91 92.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.075 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' B' ' 251' ' ' SER . 39.7 t-20 -65.96 -40.52 91.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.85 0.357 . . . . 1.0 110.454 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -73.21 22.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.581 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . 0.533 ' H ' ' C ' ' B' ' 249' ' ' ASN . 85.7 p -150.04 -5.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.005 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . 0.471 ' O ' ' O ' ' B' ' 251' ' ' SER . 82.3 mt-30 57.11 147.27 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.872 0.367 . . . . 1.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 21.1 p -112.26 -32.67 6.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.444 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -165.19 58.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 53.8 77.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.652 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 21.5 p -152.93 27.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.525 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 6.7 t -62.43 -47.08 85.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 6.8 t -147.11 76.85 11.13 Favored Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.642 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -61.53 146.34 97.06 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.921 2.414 . . . . 1.0 111.526 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 116.89 85.77 1.16 Allowed Glycine 0 N--CA 1.463 0.498 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . 0.413 ' O ' HG23 ' B' ' 261' ' ' ILE . 9.6 tp -134.84 132.32 53.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.731 0.301 . . . . 1.0 110.395 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 40.4 p90 -98.41 138.34 35.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.424 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -108.57 134.62 51.09 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . -161.53 163.94 34.83 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 11.2 t -149.16 -51.58 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.78 0.324 . . . . 1.0 110.486 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 45.48 85.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.406 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -93.98 69.31 3.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.386 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -139.72 -36.86 0.5 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.514 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 270' ' ' VAL . . . 79.29 -37.76 2.01 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' B' ' 269' ' ' GLY . 44.1 t 52.74 107.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.856 0.36 . . . . 1.0 110.514 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' B' ' 272' ' ' TYR . 57.1 tt0 -165.55 -127.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.244 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' B' ' 271' ' ' GLU . 88.0 m-85 -158.84 46.74 0.31 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.775 0.322 . . . . 1.0 110.448 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -73.85 130.95 40.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . 0.408 ' HA ' ' HE ' ' B' ' 274' ' ' ARG . 0.0 OUTLIER -80.66 -169.33 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.681 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -75.07 54.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.217 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.583 ' N ' HD22 ' B' ' 276' ' ' LEU . 3.7 mm? 54.6 176.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.37 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -140.53 63.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.532 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -158.88 -22.32 0.07 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.518 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 55.39 72.13 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.582 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 91.0 t90 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.534 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.4 mtm . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -61.94 -42.01 98.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.543 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -74.9 143.13 43.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.545 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.4 mt -110.13 124.53 51.69 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.022 0.439 . . . . 1.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.75 15.89 10.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.538 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.99 -23.87 62.13 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -89.7 101.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.993 0.425 . . . . 1.0 110.478 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 9' ' ' MET . 67.0 t0 -172.9 56.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.727 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' ASP . 80.7 mtp 47.18 -177.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.47 135.39 8.28 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.728 -0.949 . . . . 1.0 110.728 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -89.93 138.82 31.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.986 0.422 . . . . 1.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 13' ' ' LEU . 66.5 mt -136.34 146.86 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 1.0 110.26 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.8 mp -100.28 131.77 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.381 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -124.01 130.16 52.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.634 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.452 ' C ' HD22 ' A' ' 16' ' ' LEU . 83.0 m-20 -103.55 125.87 50.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.693 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD22 ' C ' ' A' ' 15' ' ' ASP . 4.3 mm? -108.07 -177.75 3.42 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.639 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.84 6.12 29.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 76.32 -54.82 0.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.458 0.474 . . . . 1.0 110.699 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -27.68 65.83 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.171 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.96 -41.13 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.223 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.5 mt -51.68 -36.98 19.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.05 -37.38 85.7 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -63.59 -49.33 73.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.194 0.521 . . . . 1.0 109.689 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.0 mt -64.85 -34.38 78.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.475 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -57.76 -41.95 83.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.19 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -62.38 -36.77 83.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.009 0.433 . . . . 1.0 110.309 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.92 -28.01 55.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.61 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 33' ' ' LEU . 13.6 tm-20 -67.27 -40.06 86.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.87 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -64.37 -49.9 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.799 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.06 -42.46 99.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.367 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.66 ' NH2' HE22 ' B' ' 250' ' ' GLN . 81.0 mmt-85 -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.848 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.05 43.18 30.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 14.8 mt -138.07 153.97 73.8 Favored Pre-proline 0 C--O 1.22 -0.481 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.811 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.35 149.29 82.1 Favored 'Trans proline' 0 C--N 1.301 -1.926 0 C-N-CA 122.799 2.333 . . . . 1.0 112.314 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.77 -48.78 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.477 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -41.84 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.395 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.03 -40.22 94.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.793 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -41.75 97.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.751 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.35 -48.41 79.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -57.95 -44.08 86.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.318 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.38 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.592 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.0 71.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.445 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.57 -53.79 40.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -51.73 -50.57 60.31 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -61.66 -41.55 97.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.575 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.85 -45.4 94.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.454 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.42 -42.15 98.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.633 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.14 -46.18 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -64.45 -40.37 95.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.216 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.6 -43.2 99.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.58 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.3 m -58.15 -36.02 72.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.413 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -59.82 -50.65 72.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.66 -179.74 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.6 m -66.23 -46.41 77.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.566 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.79 94.37 9.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.533 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -105.94 -83.14 0.52 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.628 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.52 -1.7 2.52 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.463 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' VAL . 2.0 m 49.38 26.68 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 57' ' ' SER . 20.3 t 60.22 135.3 0.03 OUTLIER Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.612 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.19 142.26 33.74 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.718 2.279 . . . . 1.0 112.435 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.83 172.62 43.35 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -107.94 114.67 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.058 0.456 . . . . 1.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -96.44 -21.04 17.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.575 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -80.47 84.86 6.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.488 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.71 171.64 55.14 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.5 m -86.84 100.88 12.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.854 0.359 . . . . 1.0 110.441 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.41 -38.08 80.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.443 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -126.21 129.26 48.63 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.986 0.422 . . . . 1.0 110.453 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -92.59 4.26 53.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.59 162.8 29.16 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 p -139.59 140.02 37.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.892 0.377 . . . . 1.0 110.343 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -157.83 139.6 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.576 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -73.91 -108.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.479 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 43.61 70.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.434 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -83.48 139.81 32.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.574 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -80.18 140.05 36.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.604 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 76' ' ' LEU . 7.9 mp -75.82 -105.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.429 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -76.69 -59.09 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.602 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 39.63 79.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.691 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -79.39 -94.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.51 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.3 m95 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.536 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 94.7 mtp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -138.4 84.55 2.03 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 10.6 m -152.95 -39.58 0.1 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.454 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.602 HD22 ' N ' ' B' ' 204' ' ' LEU . 3.8 mm? -74.6 139.31 43.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.673 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -56.51 139.35 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.526 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' B' ' 208' ' ' ASP . . . -87.6 -162.36 37.79 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 67.2 mt -65.85 75.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 1.0 110.349 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' B' ' 206' ' ' GLY . 89.8 m-20 -119.76 14.27 12.52 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.496 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 80.1 mtp -105.96 119.92 40.43 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.514 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -55.73 174.2 1.14 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.702 -0.959 . . . . 1.0 110.702 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -133.74 129.9 37.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.884 0.373 . . . . 1.0 110.494 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 76.1 mt -132.79 143.47 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.249 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 213' ' ' LEU . 10.3 mp -93.13 132.11 37.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.326 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.421 HD21 HD11 ' B' ' 216' ' ' LEU . 54.7 tp -124.05 131.33 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.551 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.445 ' O ' ' OD2' ' B' ' 215' ' ' ASP . 43.5 p-10 -114.73 111.27 21.01 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.654 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.421 HD11 HD21 ' B' ' 214' ' ' LEU . 52.0 mt -121.47 148.57 44.27 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.664 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 13.9 m -66.72 155.68 37.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.445 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -60.21 -40.0 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -57.75 -36.43 72.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.524 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.26 -42.27 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.88 -39.73 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.43 -35.82 81.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.922 -0.399 . . . . 1.0 109.922 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.41 -49.02 68.17 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.151 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.43 -39.69 94.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.486 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -52.38 -44.01 65.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.221 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.65 -40.7 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.387 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.39 -29.27 61.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.586 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' B' ' 232' ' ' ASN . 14.2 tm-20 -68.8 -41.34 78.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.762 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.38 -50.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.739 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -61.01 -42.21 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' B' ' 232' ' ' ASN . 26.2 mmt180 -80.59 -16.67 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' B' ' 228' ' ' GLU . 12.5 p30 43.56 51.69 6.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.586 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . . . . . . . . . 15.7 mt -139.7 153.79 70.46 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.895 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.19 148.39 78.64 Favored 'Trans proline' 0 C--N 1.3 -1.982 0 C-N-CA 122.773 2.315 . . . . 1.0 112.279 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -60.91 -49.14 78.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.79 11.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.317 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -65.07 -39.84 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.655 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.41 -45.42 91.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.481 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 99.4 mt -66.01 -46.67 77.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.091 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -56.71 -46.41 81.27 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.088 0.471 . . . . 1.0 110.205 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -67.25 -37.28 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.675 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.36 85.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.59 -53.37 39.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -52.34 -50.73 61.74 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.999 0.428 . . . . 1.0 109.984 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -55.92 -43.89 77.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.456 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -60.52 -41.01 93.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 6.7 mt -61.17 -42.59 98.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.745 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.78 -46.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.371 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.68 -40.14 96.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . 0.66 HE22 ' NH2' ' A' ' 31' ' ' ARG . 3.6 mm100 -65.4 -43.51 90.38 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.536 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 25.9 t -170.29 103.75 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.625 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.74 -40.09 94.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.479 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 59.7 p -94.29 119.08 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.429 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -179.25 -5.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.46 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -101.0 41.79 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.323 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 79.2 m -107.09 114.12 27.99 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.945 0.403 . . . . 1.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 21.4 p -86.88 169.59 12.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.594 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . . . . . . . . . 5.4 t 62.18 60.43 2.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.533 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.19 -18.55 50.89 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.741 2.294 . . . . 1.0 112.056 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 84.72 112.43 0.66 Allowed Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 37.2 pt -130.82 145.57 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.901 0.381 . . . . 1.0 110.526 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -150.59 157.45 43.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.417 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -154.4 156.97 37.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.539 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' B' ' 265' ' ' CYS . . . 82.12 -123.34 6.03 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' B' ' 264' ' ' GLY . 6.0 m 61.22 139.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 1.0 110.507 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -153.3 -59.06 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.544 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -65.22 138.69 58.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.654 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -63.37 -42.03 98.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.538 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' B' ' 270' ' ' VAL . . . 153.11 86.98 0.06 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.916 -0.873 . . . . 1.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' B' ' 269' ' ' GLY . 4.3 t 59.11 143.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 1.0 110.607 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . 0.492 ' N ' ' CD ' ' B' ' 271' ' ' GLU . 0.9 OUTLIER -153.78 106.93 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.414 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -107.22 103.93 13.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.442 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -166.72 170.28 12.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.53 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -138.98 137.93 36.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.588 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -86.45 144.02 27.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 68.4 mt -67.48 154.75 40.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.605 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -58.69 139.85 55.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.405 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -70.53 137.71 50.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.668 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -67.51 -39.47 85.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.494 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 90.3 t90 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.506 -179.863 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptt? . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.106 -0.701 . . . . 1.0 109.106 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' A' ' 3' ' ' SER . 3.1 m-20 -93.98 17.27 12.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.51 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.6 p 74.81 11.4 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.46 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 75.6 mt 44.44 19.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 3' ' ' SER . . . 64.95 135.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.61 -101.69 0.35 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.723 -0.951 . . . . 1.0 110.723 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.5 mt -108.4 111.15 34.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.992 0.425 . . . . 1.0 110.266 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.437 ' N ' ' OD2' ' A' ' 8' ' ' ASP . 22.2 p-10 -153.8 66.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.539 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.1 mtp -70.65 126.43 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.13 139.21 25.62 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -84.82 139.02 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 1.0 110.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.1 mt -135.05 134.97 53.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.23 121.95 37.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.3 tp -101.75 121.92 42.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.909 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 45.8 p-10 -99.86 119.21 37.83 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.95 0.405 . . . . 1.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -151.14 147.79 27.48 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.84 0.829 . . . . 1.0 110.45 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 m -59.86 156.74 13.68 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.723 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' B' ' 208' ' ' ASP . 74.2 m-80 -68.33 -30.05 68.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.749 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -58.76 -33.73 70.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.762 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.92 -45.11 81.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.683 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.413 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 74.5 mt -52.8 -36.53 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.549 -0.538 . . . . 1.0 109.549 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.43 -44.15 95.41 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.386 -0.526 . . . . 1.0 109.778 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.58 -46.96 71.13 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.881 -0.6 . . . . 1.0 109.875 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.1 tp -65.0 -51.27 62.62 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.784 0.802 . . . . 1.0 109.614 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 17.6 t0 -51.6 -46.17 63.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.067 -0.97 . . . . 1.0 110.259 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.554 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 31.2 t70 -60.7 -37.23 80.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.435 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD21 HE21 ' B' ' 250' ' ' GLN . 46.5 tp -66.74 -36.7 83.08 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 110.112 -0.329 . . . . 1.0 110.112 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' OE2' ' N ' ' A' ' 35' ' ' ARG . 66.7 tt0 -62.55 -38.43 90.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.889 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -62.13 -44.63 99.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.739 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -64.79 -40.69 95.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 1.0 110.726 -179.646 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.681 ' NH2' HE22 ' B' ' 250' ' ' GLN . 16.7 mmt85 -77.81 -9.45 59.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.602 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 4.7 p-10 44.3 42.51 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.375 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 mt -137.33 154.67 75.65 Favored Pre-proline 0 N--CA 1.463 0.215 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.589 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.67 144.31 97.89 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.391 2.061 . . . . 1.0 111.919 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.602 HH11 HD11 ' A' ' 39' ' ' LEU . 47.6 ttp85 -61.44 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.661 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.28 -40.41 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.286 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -66.5 -39.01 88.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.708 -0.397 . . . . 1.0 110.828 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 mt -65.37 -43.34 91.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.031 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.602 HD11 HH11 ' A' ' 35' ' ' ARG . 81.6 mt -63.34 -43.48 97.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -61.96 -43.7 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.304 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -66.29 -42.55 88.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.869 0.366 . . . . 1.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.28 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.81 -51.27 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 1.0 110.367 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -54.44 -46.68 73.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.079 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -57.42 -42.39 82.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.468 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -63.21 -41.85 99.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.469 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.02 -40.44 95.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.682 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.24 -44.08 97.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.105 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' A' ' 51' ' ' SER . 48.2 t30 -65.66 -39.77 91.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.409 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -72.22 25.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.837 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 49' ' ' ASN . 7.9 t -132.15 -45.35 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.443 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -169.89 -83.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 m 51.45 98.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.529 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.94 -15.75 5.29 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.55 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -58.05 108.19 0.56 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.395 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m -89.34 6.63 39.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.354 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -57.4 140.62 49.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.343 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 m -152.5 58.65 2.6 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.263 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.98 112.48 3.3 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.688 2.259 . . . . 1.0 111.862 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.34 -121.29 1.23 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.1 mt 57.14 74.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 1.0 110.363 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -90.22 -17.57 27.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.656 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -63.96 -42.58 97.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.65 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.52 -143.99 47.78 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.141 -0.784 . . . . 1.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.8 p -167.51 -22.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 1.0 110.68 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 55.19 168.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.522 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -151.19 -24.12 0.21 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -77.32 171.1 15.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.562 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.98 142.84 43.74 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.9 t -90.01 131.33 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.794 0.331 . . . . 1.0 110.453 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -152.0 115.37 4.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.559 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 40.29 78.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.829 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.85 -36.72 82.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.519 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -68.47 145.75 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.614 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.4 tttp 52.1 45.18 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.487 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -142.44 125.62 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.978 0.418 . . . . 1.0 110.299 179.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.577 ' N ' HD13 ' A' ' 76' ' ' LEU . 5.5 tpt180 74.14 -44.82 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.385 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 80' ' ' TRP . 40.7 tp10 46.14 92.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.264 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -50.14 92.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.498 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLU . 65.4 p-90 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.619 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.454 -0.573 . . . . 1.0 109.454 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -63.81 -39.88 95.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.585 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 37.5 m -68.2 -16.04 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.728 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 74.2 mt 44.51 25.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.556 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 59.22 -157.47 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.35 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . -143.18 140.78 9.95 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 15.9 mm -89.54 73.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 1.0 110.269 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.502 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 75.7 m-20 -96.56 7.13 47.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.634 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 71.8 mtp -83.06 -179.48 7.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.026 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -127.62 40.17 1.8 Allowed Glycine 0 N--CA 1.462 0.376 0 N-CA-C 111.108 -0.797 . . . . 1.0 111.108 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -40.82 154.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.782 0.325 . . . . 1.0 110.786 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.43 HG22 ' N ' ' B' ' 213' ' ' LEU . 50.8 mt -138.58 155.85 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.372 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.43 ' N ' HG22 ' B' ' 212' ' ' ILE . 7.1 mt -91.84 138.83 31.23 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.377 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 34.9 tp -138.81 142.66 38.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.178 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.486 ' C ' HD12 ' B' ' 216' ' ' LEU . 0.9 OUTLIER -116.5 125.85 52.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 1.0 110.676 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.607 ' O ' ' O ' ' B' ' 217' ' ' SER . 9.8 mp -119.36 144.96 46.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.169 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . 0.607 ' O ' ' O ' ' B' ' 216' ' ' LEU . 0.3 OUTLIER -49.26 -154.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 124.235 0.96 . . . . 1.0 110.023 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . 0.42 ' OD1' ' OD2' ' A' ' 8' ' ' ASP . 8.0 m120 -112.07 -40.2 4.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.502 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.71 -32.11 71.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.18 -42.97 79.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.959 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.78 -36.12 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -65.98 -41.13 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.345 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -61.97 -45.57 93.07 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.002 -0.544 . . . . 1.0 109.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.42 -41.61 98.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.442 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.09 -47.06 86.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.422 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.45 -45.81 92.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.914 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.12 -36.29 82.76 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 235' ' ' ARG . 66.3 tt0 -67.57 -40.12 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.77 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 56.7 t -64.13 -44.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.78 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.65 -40.64 92.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.99 0.424 . . . . 1.0 110.744 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.475 ' CB ' HD11 ' B' ' 233' ' ' LEU . 16.1 mmm180 -68.87 -36.35 77.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.689 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.51 43.35 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.175 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.597 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -149.32 158.99 37.71 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-O 120.788 0.328 . . . . 1.0 110.118 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.87 142.79 99.26 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.328 2.018 . . . . 1.0 112.009 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . 0.525 ' N ' ' OE1' ' B' ' 228' ' ' GLU . 34.6 ptt180 -61.06 -40.97 95.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.161 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' B' ' 235' ' ' ARG . . . -48.86 -38.88 23.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.024 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -66.05 -38.33 88.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.654 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.58 -42.23 91.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.9 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.358 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.144 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.75 -41.36 83.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.498 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.16 87.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.929 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.44 -50.72 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.649 -0.42 . . . . 1.0 110.383 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -54.59 -46.08 73.71 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.567 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -63.82 -39.92 95.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.501 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -61.51 -42.75 99.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.508 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.85 -40.5 95.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.729 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.52 -44.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.021 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -65.57 -39.62 91.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.518 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . 0.681 HE22 ' NH2' ' A' ' 31' ' ' ARG . 14.0 mm100 -62.07 -41.24 97.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.748 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 10.4 t -113.93 55.77 0.72 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.383 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -72.02 131.99 43.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.251 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.28 8.62 0.93 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -66.81 156.68 34.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.593 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' B' ' 256' ' ' THR . 67.7 ttp85 -55.29 -10.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.354 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' B' ' 255' ' ' ARG . 0.7 OUTLIER 75.78 109.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.565 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . . . . . . . . . 41.7 t -75.56 176.83 7.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.462 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . 0.431 ' N ' ' CD ' ' B' ' 259' ' ' PRO . 3.8 t 62.08 54.47 2.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.583 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' B' ' 258' ' ' VAL . 38.7 Cg_endo -66.5 144.2 72.14 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.729 2.286 . . . . 1.0 112.094 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 58.65 -128.21 47.1 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 94.5 mt 50.91 93.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.699 0.285 . . . . 1.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -78.88 80.96 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.428 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -65.48 -37.1 85.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.47 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' B' ' 266' ' ' GLU . . . -55.24 157.1 7.97 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . 0.443 ' O ' ' O ' ' B' ' 266' ' ' GLU . 2.3 t 72.13 -39.23 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.661 0.267 . . . . 1.0 110.426 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' B' ' 264' ' ' GLY . 97.1 mt-10 55.96 158.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.389 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -92.36 141.68 28.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.073 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' B' ' 268' ' ' ASP . 53.6 p30 -128.23 150.69 49.92 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.448 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . 140.28 37.15 0.11 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 35.4 m -98.58 -4.82 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.703 0.287 . . . . 1.0 110.677 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -104.34 119.53 39.16 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.132 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' B' ' 274' ' ' ARG . 32.5 p90 -94.22 -153.35 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.18 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . 0.46 ' N ' ' CD2' ' B' ' 272' ' ' TYR . 5.6 tp-100 63.83 -71.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' B' ' 272' ' ' TYR . 16.4 ptm180 -53.5 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.564 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -61.51 126.66 28.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.244 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.438 ' H ' HD23 ' B' ' 276' ' ' LEU . 0.1 OUTLIER -90.34 -91.7 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.164 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -137.57 128.51 27.32 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.503 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 44.41 -168.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.525 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' B' ' 280' ' ' TRP . 80.4 mm-40 -138.63 141.85 39.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.434 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' B' ' 279' ' ' GLU . 76.0 t-105 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.472 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.92 10.36 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.493 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t 55.72 -173.09 0.06 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 6' ' ' GLY . 13.6 tp -90.96 126.86 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.451 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.98 -82.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.494 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . 164.21 114.16 0.3 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.811 -0.915 . . . . 1.0 110.811 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.8 mm -92.96 93.8 4.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 1.0 110.391 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -138.08 35.21 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.414 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 ptm -54.35 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.546 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.4 164.69 15.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 11' ' ' ARG . 46.8 ttm105 -138.94 132.96 31.18 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.167 -0.308 . . . . 1.0 110.167 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 13' ' ' LEU . 42.8 mm -130.66 161.04 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.543 ' N ' HG22 ' A' ' 12' ' ' ILE . 62.1 mt -108.01 140.73 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.045 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 tp -121.97 128.75 51.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.586 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -101.07 115.59 30.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.75 -179.04 4.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.211 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 0.5 OUTLIER -112.15 7.37 19.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.853 -179.327 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 77.81 -43.58 0.4 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.372 0.42 . . . . 1.0 110.11 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.56 -31.94 72.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.364 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.45 -39.41 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.539 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.1 mt -54.98 -39.96 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -63.49 -38.91 92.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.018 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.02 -49.36 70.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-O 121.115 0.483 . . . . 1.0 109.729 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' GLU . 69.2 mt -64.14 -36.84 85.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.494 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -56.1 -43.79 78.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.416 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' HG12 ' A' ' 29' ' ' VAL . 44.1 t0 -61.73 -37.12 83.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.232 0.539 . . . . 1.0 110.29 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 mt -83.65 -27.71 28.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.079 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 33' ' ' LEU . 4.9 tm-20 -78.18 -41.02 35.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.134 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 30' ' ' GLN . 9.7 p -56.38 -48.4 79.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.024 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.603 ' N ' HG13 ' A' ' 29' ' ' VAL . 88.0 mt-30 -60.41 -42.04 95.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.966 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.461 HH21 HE22 ' B' ' 250' ' ' GLN . 95.6 mtt-85 -78.44 -15.55 58.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.682 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' GLU . 20.6 p30 44.03 50.26 7.3 Favored 'General case' 0 CA--C 1.518 -0.263 0 O-C-N 123.379 0.424 . . . . 1.0 110.651 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.504 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 16.3 mt -137.37 154.51 75.46 Favored Pre-proline 0 N--CA 1.463 0.191 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.804 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.515 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 18.3 Cg_endo -59.32 144.71 99.31 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.395 2.064 . . . . 1.0 112.431 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.03 -40.13 96.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.484 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.0 -45.24 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.313 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' A' ' 34' ' ' PRO . 0.2 OUTLIER -65.81 -39.49 90.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.557 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 38' ' ' LEU . 92.7 mt -65.18 -41.64 94.39 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.369 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -45.75 88.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.606 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -59.97 -42.96 95.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.139 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -63.5 -38.54 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.583 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.78 93.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.281 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.42 -52.94 45.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.008 0.432 . . . . 1.0 110.075 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -52.61 -49.62 64.73 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.853 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -60.89 -40.75 94.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -62.76 -44.13 97.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.55 -41.76 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.625 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -61.79 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.21 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 51' ' ' SER . 29.3 t-20 -65.68 -39.5 91.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.051 0.453 . . . . 1.0 110.426 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' O ' ' OG ' ' A' ' 51' ' ' SER . 19.8 mm100 -73.31 32.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.715 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 49' ' ' ASN . 2.5 p 77.16 129.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.392 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 54' ' ' ALA . 56.2 tt0 -164.25 -42.74 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.741 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 54' ' ' ALA . 82.4 p 48.87 -86.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.797 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -54.16 133.29 44.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.397 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.9 mtm-85 -96.34 8.4 44.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m 53.87 88.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.202 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.641 ' O ' ' O ' ' A' ' 58' ' ' VAL . 87.2 p -89.42 5.5 44.96 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 118.856 -0.592 . . . . 1.0 110.868 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.641 ' O ' ' O ' ' A' ' 57' ' ' SER . 20.6 m 45.18 149.52 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 124.494 1.121 . . . . 1.0 111.855 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.05 131.11 8.42 Favored 'Trans proline' 0 C--N 1.295 -2.256 0 C-N-CA 121.147 1.232 . . . . 1.0 112.117 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.03 -75.9 1.04 Allowed Glycine 0 N--CA 1.465 0.633 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 61' ' ' ILE . 17.8 tt -109.85 124.56 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.973 0.416 . . . . 1.0 110.512 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.543 ' O ' ' N ' ' A' ' 64' ' ' GLY . 1.0 OUTLIER -173.64 -151.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.61 179.66 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 48.96 -87.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.337 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 62' ' ' TRP . . . 87.39 9.94 71.75 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 95.6 m -148.55 155.86 41.68 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.753 0.311 . . . . 1.0 110.38 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -146.32 -3.62 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.515 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.51 -46.34 80.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.617 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 69' ' ' GLY . 68.2 t0 41.64 -116.91 0.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.623 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 68' ' ' ASP . . . 160.11 83.78 0.05 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.855 -0.898 . . . . 1.0 110.855 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.44 -45.3 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.346 . . . . 1.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -143.67 -27.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.649 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.535 ' O ' ' CD2' ' A' ' 72' ' ' TYR . 68.3 t80 54.61 42.8 31.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 1.0 110.416 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.6 90.32 7.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.422 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 41.79 62.48 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.777 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' LEU . 29.3 mmtp -63.52 -40.89 98.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.744 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 77' ' ' ARG . 85.7 mt -48.6 -101.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.428 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 76' ' ' LEU . 85.5 mtp180 57.04 124.48 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.026 0.441 . . . . 1.0 110.767 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.29 139.71 58.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.546 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -150.4 114.34 5.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.502 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.444 ' CD1' ' N ' ' A' ' 80' ' ' TRP . 5.7 m0 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.009 -0.996 . . . . 1.0 110.592 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' B' ' 202' ' ' ASN . 20.3 p30 42.24 41.72 2.24 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.595 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . 0.444 ' O ' ' O ' ' B' ' 204' ' ' LEU . 6.0 m -87.52 126.48 34.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.257 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . 0.564 HD22 ' N ' ' B' ' 204' ' ' LEU . 3.8 mm? 47.56 101.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.779 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . 52.43 -155.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.153 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 97.43 -91.98 1.26 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 91.5 mt -111.94 117.63 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-O 120.992 0.425 . . . . 1.0 110.228 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.456 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 38.7 t70 -127.76 26.92 5.82 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.686 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . . . . . . . . . 73.6 mmm -105.04 117.04 32.99 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.173 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -59.24 168.1 7.11 Favored Glycine 0 C--O 1.225 -0.416 0 N-CA-C 110.393 -1.083 . . . . 1.0 110.393 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -135.19 116.59 14.64 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 110.269 -0.271 . . . . 1.0 110.269 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 45.1 mm -118.91 147.16 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.463 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.611 HD12 ' N ' ' B' ' 213' ' ' LEU . 9.9 mp -94.67 133.12 38.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.16 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . . . . . . . . . 47.4 tp -117.7 127.33 53.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 215' ' ' ASP . 44.1 p-10 -94.01 118.33 31.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.78 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.28 -167.12 1.64 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.074 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 4.0 m -133.38 154.35 50.82 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.283 0.364 . . . . 1.0 110.297 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.15 -36.01 67.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.26 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.37 -37.79 88.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.413 . . . . 1.0 110.514 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.09 -41.74 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.564 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.73 -39.09 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.04 -40.0 94.14 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.369 -0.378 . . . . 1.0 109.992 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.8 -49.06 77.84 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-O 121.108 0.48 . . . . 1.0 109.746 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.02 -37.4 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.589 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -59.23 -40.88 87.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.972 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -62.38 -39.61 93.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.893 0.378 . . . . 1.0 110.234 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.41 -28.83 61.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.441 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 232' ' ' ASN . 4.2 tp10 -69.21 -38.76 78.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.973 0.416 . . . . 1.0 110.848 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . . . . . . . . . 77.0 t -63.39 -51.53 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.094 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' B' ' 230' ' ' GLN . 7.6 pt20 -62.02 -40.89 97.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.294 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.574 ' HB3' HD22 ' B' ' 233' ' ' LEU . 19.5 mmt180 -77.58 -28.14 51.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.69 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' B' ' 228' ' ' GLU . 17.1 t-20 52.23 53.02 13.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.424 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.77 ' O ' HD23 ' B' ' 233' ' ' LEU . 0.3 OUTLIER -148.64 159.76 37.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.06 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.78 144.73 99.6 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.792 2.328 . . . . 1.0 112.729 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -62.06 -42.32 99.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.172 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -47.19 -40.29 15.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.184 -0.302 . . . . 1.0 110.184 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -64.96 -39.1 92.97 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.502 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' B' ' 233' ' ' LEU . 38.7 mt -65.68 -40.64 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.862 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.27 -47.45 85.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -57.88 -44.52 86.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -68.25 -38.0 81.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.53 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.08 78.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.452 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.41 -53.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.028 0.442 . . . . 1.0 110.178 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.46 -47.79 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 1.0 109.935 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -61.46 -40.38 94.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.633 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.32 -44.43 97.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 8.1 mt -61.1 -41.94 97.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.613 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.4 -46.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.112 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -64.39 -40.08 95.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.246 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . 0.461 HE22 HH21 ' A' ' 31' ' ' ARG . 17.7 mm100 -58.53 -42.33 87.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 6.2 t -57.57 -42.63 83.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.337 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.16 -36.8 85.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.664 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . . . . . . . . . 12.3 m -74.86 80.44 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.454 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -172.89 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.648 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -65.06 -43.46 92.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.505 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 48.6 p -134.03 50.06 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.225 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . 0.437 ' O ' ' O ' ' B' ' 258' ' ' VAL . 78.0 p -62.94 -52.43 63.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.273 0.558 . . . . 1.0 110.737 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 257' ' ' SER . 20.9 t 59.12 137.57 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.416 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.5 144.25 52.12 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.445 2.097 . . . . 1.0 112.184 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . 168.2 96.8 0.11 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . 0.477 ' C ' ' H ' ' B' ' 263' ' ' GLN . 5.0 mp -115.2 127.77 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 121.009 0.433 . . . . 1.0 110.452 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . 0.565 ' C ' ' H ' ' B' ' 264' ' ' GLY . 99.1 m95 -76.14 30.45 0.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 1.0 110.505 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' B' ' 261' ' ' ILE . 45.3 tt0 63.77 -8.42 0.17 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.478 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . 0.565 ' H ' ' C ' ' B' ' 262' ' ' TRP . . . 60.36 148.78 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.731 -0.947 . . . . 1.0 110.731 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 98.3 m -141.23 146.56 37.03 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.84 0.352 . . . . 1.0 110.48 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 50.42 94.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.644 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.78 -41.74 95.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 55.41 36.49 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.642 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -88.61 -3.03 78.27 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . 0.424 ' O ' ' CD2' ' B' ' 272' ' ' TYR . 34.8 m -85.4 10.6 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 1.0 110.548 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.0 -34.35 76.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.511 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . 0.424 ' CD2' ' O ' ' B' ' 270' ' ' VAL . 59.0 m-85 46.12 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.586 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . 0.511 ' N ' ' NH1' ' B' ' 274' ' ' ARG . 77.0 mt-30 45.45 84.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.466 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . 0.69 ' H ' ' NE ' ' B' ' 274' ' ' ARG . 0.0 OUTLIER -63.32 -42.49 99.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.65 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 276' ' ' LEU . 21.5 pttp -151.71 -20.5 0.19 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.679 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' B' ' 275' ' ' LYS . 44.9 tp 57.09 117.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.666 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -78.45 144.62 35.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.715 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -81.15 -170.52 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.545 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -66.08 -40.15 90.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.493 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 98.4 m95 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.532 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -58.5 -83.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.467 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' OG ' ' A' ' 3' ' ' SER . 7.1 t 55.66 23.01 5.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.439 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.84 135.01 33.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.436 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 6' ' ' GLY . . . -97.29 132.73 42.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.408 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . 49.05 101.73 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 96.4 mt -96.37 111.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.058 0.456 . . . . 1.0 110.273 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' OD2' ' O ' ' A' ' 7' ' ' ILE . 92.8 m-20 -136.19 76.95 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.614 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 95.6 mtp -64.66 116.57 6.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.443 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.24 -170.78 24.04 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -125.76 137.06 53.78 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.848 0.356 . . . . 1.0 110.21 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -131.3 150.79 34.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.157 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' C ' ' A' ' 13' ' ' LEU . 4.9 tt -107.48 115.88 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.061 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.585 ' N ' HD23 ' A' ' 13' ' ' LEU . 53.6 tp -110.53 131.0 55.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -116.55 120.77 39.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.445 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.3 mt -123.88 145.74 48.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 m -60.67 152.01 27.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.242 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -60.54 -33.51 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.294 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -56.86 -36.75 70.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.23 -42.36 81.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.685 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.98 -42.22 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.71 -0.478 . . . . 1.0 109.71 -178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -61.8 -42.9 99.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.791 -0.448 . . . . 1.0 109.791 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.43 -45.67 65.41 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.74 -45.23 90.82 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-O 120.856 0.36 . . . . 1.0 110.123 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.46 -48.58 81.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.43 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.79 -43.94 90.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.514 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.659 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' OE2' ' O ' ' A' ' 33' ' ' LEU . 14.8 tm-20 -65.51 -40.74 93.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -72.56 -32.4 41.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.825 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -57.22 -48.46 78.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -92.24 -14.74 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.744 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.9 m120 60.15 28.45 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.661 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 5.7 mp -110.88 155.86 41.7 Favored Pre-proline 0 C--O 1.223 -0.317 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.361 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.27 147.08 94.1 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.632 2.222 . . . . 1.0 112.134 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -61.36 -42.71 99.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.732 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.19 -38.95 27.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.288 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -69.82 -41.69 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.422 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.71 -44.56 89.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.49 -45.05 85.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.985 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -56.32 -43.46 79.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.287 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.04 -38.74 92.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.703 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.59 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.253 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.78 -53.15 33.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.415 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.07 -45.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -61.11 -40.8 95.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.555 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -63.2 -45.03 93.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.96 -41.34 97.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.804 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.29 -44.19 95.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.099 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -67.74 -41.75 82.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 1.0 110.373 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.786 HE22 HH21 ' B' ' 231' ' ' ARG . 21.9 mm100 -61.07 -42.98 99.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.498 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 53' ' ' THR . 93.7 p -80.57 -32.33 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.519 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.478 ' HG2' ' H ' ' A' ' 54' ' ' ALA . 57.1 tt0 59.39 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.391 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 51' ' ' SER . 65.9 p 44.4 34.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' H ' ' HG2' ' A' ' 52' ' ' GLN . . . -166.71 -170.98 1.73 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.462 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -130.39 139.94 50.61 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.557 ' O ' ' N ' ' A' ' 58' ' ' VAL . 89.2 m -57.3 -85.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.493 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t 54.71 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.516 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 56' ' ' THR . 5.8 t 54.07 61.73 9.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.54 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 60' ' ' GLY . 58.5 Cg_endo -74.21 145.75 35.2 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.811 2.341 . . . . 1.0 112.111 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' PRO . . . 44.52 95.42 0.01 OUTLIER Glycine 0 CA--C 1.518 0.271 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 61' ' ' ILE . 9.9 tp -131.51 134.24 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.874 0.369 . . . . 1.0 110.569 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -141.44 93.8 2.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.518 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.68 -41.26 92.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.585 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.14 15.79 81.26 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.1 t -101.83 173.8 6.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.786 0.326 . . . . 1.0 110.454 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -68.57 137.63 54.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.507 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 67' ' ' GLU . 1.3 pm0 -98.57 -88.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.249 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 53.01 174.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.501 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.49 21.22 70.06 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 72' ' ' TYR . 15.2 m -87.9 30.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 1.0 110.559 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -47.12 94.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.593 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 70' ' ' VAL . 69.8 t80 -93.6 11.11 29.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.487 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 72' ' ' TYR . 65.1 tp60 59.7 124.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.499 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -67.65 141.02 56.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.584 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -86.76 126.44 34.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.492 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.3 mt -77.43 143.83 38.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.522 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.8 146.07 40.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.411 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -136.24 88.51 2.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.34 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -123.95 114.65 20.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.419 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.466 179.798 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 16.2 ptm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -93.22 96.61 10.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.416 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 1.6 p 69.12 11.18 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.601 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 46.6 mt -96.09 114.18 25.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.324 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -172.33 -174.79 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.555 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 76.98 29.62 56.86 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.021 -0.831 . . . . 1.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' ILE . . . . . . . . . . . . . 13.8 mm -87.06 93.84 4.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 1.0 110.382 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' B' ' 209' ' ' MET . 97.2 m-20 46.15 52.01 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.558 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' MET . . . . . 0.426 ' O ' ' O ' ' B' ' 208' ' ' ASP . 7.1 ptm -57.05 -157.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.461 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' GLY . . . . . . . . . . . . . . . -110.54 -177.86 20.72 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -142.12 126.81 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 1.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' ILE . . . . . 0.405 ' C ' HD12 ' B' ' 213' ' ' LEU . 16.8 mt -141.83 144.06 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.566 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.559 ' C ' HD22 ' B' ' 214' ' ' LEU . 11.0 mp -101.19 126.12 47.88 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.957 0.408 . . . . 1.0 110.31 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 214' ' ' LEU . . . . . 0.559 HD22 ' C ' ' B' ' 213' ' ' LEU . 4.2 mm? -116.3 132.95 56.52 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.45 -0.796 . . . . 1.0 111.178 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 215' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -113.38 125.79 54.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.426 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 77.8 mt -134.11 144.95 48.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.715 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 217' ' ' SER . . . . . . . . . . . . . 8.4 m -56.39 150.52 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.237 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 218' ' ' ASN . . . . . 0.775 HD22 ' H ' ' B' ' 219' ' ' GLU . 0.0 OUTLIER -60.66 -29.25 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.493 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . 0.775 ' H ' HD22 ' B' ' 218' ' ' ASN . 80.4 mm-40 -66.0 -35.62 81.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 220' ' ' VAL . . . . . . . . . . . . . 72.3 t -69.36 -43.52 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.703 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 221' ' ' ILE . . . . . . . . . . . . . 62.3 mt -54.01 -37.06 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -65.44 -38.39 89.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.476 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.2 -47.69 76.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.218 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 224' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.02 -41.81 98.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . 0.411 ' O ' HG23 ' B' ' 229' ' ' VAL . 53.2 t0 -56.01 -48.1 76.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.553 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 226' ' ' ASP . . . . . 0.546 ' O ' ' NE2' ' B' ' 230' ' ' GLN . 39.4 t0 -59.91 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.64 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 227' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.05 -33.68 75.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.121 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' B' ' 233' ' ' LEU . 70.3 tt0 -67.08 -37.71 84.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.729 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 229' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 225' ' ' ASP . 58.9 t -65.16 -42.85 95.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 230' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 226' ' ' ASP . 0.2 OUTLIER -58.47 -47.81 82.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.91 -179.182 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.786 HH21 HE22 ' A' ' 50' ' ' GLN . 96.0 mtt-85 -77.7 -22.92 49.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 232' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 60.84 62.64 1.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.995 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 233' ' ' LEU . . . . . 0.595 HD12 ' O ' ' B' ' 233' ' ' LEU . 0.3 OUTLIER -153.34 158.61 32.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.484 -179.784 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 234' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -60.67 143.92 99.47 Favored 'Trans proline' 0 C--N 1.302 -1.903 0 C-N-CA 122.402 2.068 . . . . 1.0 111.944 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 235' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -62.44 -38.12 88.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.567 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . . . . . . . . . . . -51.12 -38.6 52.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.01 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 237' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -66.37 -39.29 89.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 1.0 110.488 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 38.6 mt -63.89 -41.68 97.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.754 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 239' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.89 -43.08 99.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.528 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 240' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -61.58 -42.7 99.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 241' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.76 95.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 242' ' ' ALA . . . . . . . . . . . . . . . -61.54 -41.76 97.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.458 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 82.2 t -65.73 -53.24 40.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.527 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 244' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -51.96 -47.71 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.9 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 245' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.55 -41.27 80.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.703 0.287 . . . . 1.0 110.706 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 246' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -61.82 -41.7 98.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.125 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 247' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.57 -40.69 92.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.409 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 248' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.23 -47.39 92.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 249' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -49.77 -18.89 0.54 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 250' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -66.74 -33.88 76.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.564 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 251' ' ' SER . . . . . . . . . . . . . 69.6 m -85.92 32.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.751 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 252' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.53 97.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 253' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' B' ' 254' ' ' ALA . 19.1 m -62.86 -44.99 94.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.537 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' B' ' 255' ' ' ARG . . . 64.24 161.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.44 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' B' ' 254' ' ' ALA . 99.5 mtt180 58.07 133.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.715 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 256' ' ' THR . . . . . . . . . . . . . 9.2 p -80.18 171.64 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.543 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 257' ' ' SER . . . . . 0.408 ' O ' ' O ' ' B' ' 258' ' ' VAL . 31.0 t -49.1 176.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.356 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 258' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' B' ' 257' ' ' SER . 19.0 t 60.87 135.98 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.272 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 259' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.29 136.6 31.42 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.544 2.163 . . . . 1.0 112.316 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . -97.08 -44.41 2.82 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 261' ' ' ILE . . . . . . . . . . . . . 19.6 tt -137.24 138.25 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.858 0.361 . . . . 1.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 262' ' ' TRP . . . . . 0.486 ' O ' ' CD2' ' B' ' 262' ' ' TRP . 67.9 p-90 -75.92 120.68 21.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 263' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -164.18 147.38 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 264' ' ' GLY . . . . . . . . . . . . . . . 166.72 45.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 265' ' ' CYS . . . . . . . . . . . . . 50.1 m -90.11 132.49 35.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.795 0.331 . . . . 1.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 266' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -88.14 -10.14 50.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.435 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 267' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 267' ' ' GLU . 1.9 tm-20 69.33 67.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.649 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 268' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -78.82 121.49 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.569 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 269' ' ' GLY . . . . . . . . . . . . . . . -150.53 120.27 1.1 Allowed Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 270' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.47 119.56 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.921 0.391 . . . . 1.0 110.283 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 271' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -71.68 -37.15 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.595 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 272' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -141.16 127.38 19.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.453 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 273' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -87.31 142.52 27.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 274' ' ' ARG . . . . . . . . . . . . . 48.4 ptt85 -144.04 134.6 24.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 1.0 110.588 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 275' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -148.52 -87.97 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 276' ' ' LEU . . . . . . . . . . . . . 65.1 mt -99.54 46.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.5 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 277' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -74.68 83.19 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.618 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 278' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.57 -38.28 77.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 279' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.53 128.15 50.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.998 0.428 . . . . 1.0 110.504 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 280' ' ' TRP . . . . . . . . . . . . . 87.1 m95 . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.447 -179.873 . . . . . . . . 0 0 . 1 stop_ save_